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This study aimed to determine whether, following two years of specialized support for first-episode psychosis, the addition of a new digital intervention (Horyzons) to treatment as usual (TAU) for 18 months was more effective than 18 months of TAU alone. We conducted a single-blind randomized controlled trial. Participants were people with first-episode psychosis (N=170), aged 16-27 years, in clinical remission and nearing discharge from a specialized service. They were randomly assigned (1:1) to receive Horyzons plus TAU (N=86) or TAU alone (N=84) between October 2013 and January 2017. Horyzons is a novel, comprehensive digital platform merging: peer-to-peer social networking; theory-driven and evidence-informed therapeutic interventions targeting social functioning, vocational recovery and relapse prevention; expert clinician and vocational support; and peer support and moderation. TAU involved transfer to primary or tertiary community mental health services. The primary outcome was social functioning at 18 months as measured by the Personal and Social Performance Scale (PSP). Forty-seven participants (55.5%) in the Horyzons plus TAU group logged on for at least 6 months, and 40 (47.0%) for at least 9 months. Social functioning remained high and stable in both groups from baseline to 18-month follow-up, with no evidence of significant between-group differences (PSP mean difference: -0.29, 95% CI: -4.20 to 3.63, p=0.77). Participants in the Horyzons group had a 5.5 times greater increase in their odds to find employment or enroll in education compared with those in TAU (odds ratio, OR=5.55, 95% CI: 1.09-28.23, p=0.04), with evidence of a dose-response effect. Moreover, participants in TAU were twice as likely to visit emergency services compared to those in the Horyzons group (39% vs. 19%; OR=0.31, 95% CI: 0.11-0.86, p=0.03, number needed to treat, NNT=5). There was a non-significant trend for lower hospitalizations due to psychosis in the Horyzons group vs. TAU (13% vs. 27%; OR=0.36, 95% CI: 0.11-1.08, p=0.07, NNT=7). So, although we did not find a significant effect of Horyzons on social functioning compared with TAU, the intervention was effective in improving vocational or educational attainment, a core component of social recovery, and in reducing usage of hospital emergency services, a key aim of specialized first-episode psychosis services. Horyzons holds significant promise as an engaging and sustainable intervention to provide effective vocational and relapse prevention support for young people with first-episode psychosis beyond specialist services.

This article is part of the JCP Special Topic on Electronic Structure Software., A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-1990s, SIESTA’s flexibility, efficiency, and free distribution have given advanced materials simulation capabilities to many groups worldwide. The core methodological scheme of SIESTA combines finite-support pseudo-atomic orbitals as basis sets, norm-conserving pseudopotentials, and a realspace grid for the representation of charge density and potentials and the computation of their associated matrix elements. Here, we describe the more recent implementations on top of that core scheme, which include full spin–orbit interaction, non-repeated and multiple-contact ballistic electron transport, density functional theory (DFT)+U and hybrid functionals, time-dependent DFT, novel reduced-scaling solvers, density-functional perturbation theory, efficient van der Waals non-local density functionals, and enhanced molecular-dynamics options. In addition, a substantial effort has been made in enhancing interoperability and interfacing with other codes and utilities, such as WANNIER90 and the second-principles modeling it can be used for, an AiiDA plugin for workflow automatization, interface to Lua for steering SIESTA runs, and various post-processing utilities. SIESTA has also been engaged in the Electronic Structure Library effort from its inception, which has allowed the sharing of various low-level libraries, as well as data standards and support for them, particularly the PSeudopotential Markup Language definition and library for transferable pseudopotentials, and the interface to the ELectronic Structure Infrastructure library of solvers. Code sharing is made easier by the new open-source licensing model of the program. This review also presents examples of application of the capabilities of the code, as well as a view of on-going and future developments., Siesta development was historically supported by different Spanish National Plan projects (Project Nos. MEC-DGES-PB95-0202, MCyT-BFM2000-1312, MEC-BFM2003-03372, FIS2006-12117, FIS2009-12721, FIS2012-37549, FIS2015-64886-P, and RTC-2016-5681-7), the latter one together with Simune Atomistics Ltd. We are thankful for financial support from the Spanish Ministry of Science, Innovation and Universities through Grant No. PGC2018-096955-B. We acknowledge the Severo Ochoa Center of Excellence Program [Grant Nos. SEV-2015-0496 (ICMAB) and SEV-2017-0706 (ICN2)], the GenCat (Grant No. 2017SGR1506), and the European Union MaX Center of Excellence (EU-H2020 Grant No. 824143). P.G.-F. acknowledges support from Ramón y Cajal (Grant No. RyC-2013-12515). J.I.C. acknowledges Grant No. RTI2018-097895-B-C41. R.C. acknowledges the European Union’s Horizon 2020 Research and Innovation Program under Marie Skłodoswka-Curie Grant Agreement No. 665919. D.S.P, P.K., and P.B. acknowledge Grant No. MAT2016-78293-C6, FET-Open No. 863098, and UPV-EHU Grant No. IT1246-19. V. W. Yu was supported by a MolSSI Fellowship (U.S. NSF Award No. 1547580), and V.B. and V.W.Y. were supported by the ELSI Development by the NSF (Award No. 1450280).

Wenzel and Kubiak (1) reanalyze our data (2) and conclude that 1) there is overlap between the relative SD (RSD) (3) and mean of negative emotion and 2) after controlling for this overlap, the RSD weakly but significantly predicts neuroticism. We question both points and note that these findings leave our conclusions unchanged. Overall, the mean and RSD of negative emotion are unrelated, but Wenzel and Kubiak (1) find significant between-study variance in this relationship. They also show that, in studies with a stronger RSD−mean association, the RSD is more strongly related to neuroticism (although n = 11 studies). Thus, they argue, we do not account for the RSD−mean overlap. This argument … [↵][1]2To whom correspondence may be addressed. Email: elise.kalokerinos{at}unimelb.edu.au. [1]: #xref-corresp-1-1

Objective. To evaluate a process developed to support research by fourth-year student pharmacists enrolled in an advanced pharmacy practice experience at a health system affiliated with a school of pharmacy. Methods. In 2017, clinical, non-tenure track faculty transitioned from facilitating a fourth-year research elective to implementing a new student research process that matches students to research preceptors at the beginning of the academic year and provides training and resources to them throughout the year. This pre-post study evaluated student pharmacist research participation, dissemination, and placement into a residency or job position at the time of graduation, and then compared data for the three years before the new process was implemented to data for the three years after implementation. Results. Thirty-three fourth-year students assigned to the health system graduated from 2015 to 2017, and 31 graduated from 2018 to 2020. The percentage of students in each cohort who completed research projects increased significantly (48.5% vs 87.1%), the number of projects increased significantly (18 vs 35), the number of presentations increased significantly (29 vs 63), and the number of publications increased significantly (9 vs 20). The percentage of research students who pursued postgraduate training increased (68.8% vs 96.3%), as did their rate of placement into training programs (81.8% vs 92.3%). Of those students who did not participate in research, the percent who pursued training also increased (17.6% vs 75%), but the rate of placement remained the same (66.7%). Conclusion. Matching fourth-year student pharmacists to research preceptors at the beginning of the academic year and providing them with training and resources throughout the year was associated with increased research productivity.

This article compares a general cross-lagged model (GCLM) to other panel data methods based on their coherence with a causal logic and pragmatic concerns regarding modeled dynamics and hypothesis testing. We examine three “static” models that do not incorporate temporal dynamics: random- and fixed-effects models that estimate contemporaneous relationships; and latent curve models. We then describe “dynamic” models that incorporate temporal dynamics in the form of lagged effects: cross-lagged models estimated in a structural equation model (SEM) or multilevel model (MLM) framework; Arellano-Bond dynamic panel data methods; and autoregressive latent trajectory models. We describe the implications of overlooking temporal dynamics in static models and show how even popular cross-lagged models fail to control for stable factors over time. We also show that Arellano-Bond and autoregressive latent trajectory models have various shortcomings. By contrasting these approaches, we clarify the benefits and drawbacks of common methods for modeling panel data, including the GCLM approach we propose. We conclude with a discussion of issues regarding causal inference, including difficulties in separating different types of time-invariant and time-varying effects over time. Australian Research Council https://doi.org/10.13039/501100000923

his is the first paper in a series of two that synthesizes, compares, and extends methods for causal inference with longitudinal panel data in a structural equation modeling (SEM) framework. Starting with a cross-lagged approach, this paper builds a general cross-lagged panel model (GCLM) with parameters to account for stable factors while increasing the range of dynamic processes that can be modeled. We illustrate the GCLM by examining the relationship between national income and subjective well-being (SWB), showing how to examine hypotheses about short-run (via Granger-Sims tests) versus long-run effects (via impulse responses). When controlling for stable factors, we find no short-run or long-run effects among these variables, showing national SWB to be relatively stable, whereas income is less so. Our second paper addresses the differences between the GCLM and other methods. Online Supplementary Materials offer an Excel file automating GCLM input for Mplus (with an example also for Lavaan in R) and analyses using additional data sets and all program input/output. We also offer an introductory GCLM presentation at https://youtu.be/tHnnaRNPbXs. We conclude with a discussion of issues surrounding causal inference. All authors: Michael J. Zyphur, Paul D. Allison, Louis Tay, Manuel C. Voelkle, Kristopher J. Preacher, Zhen Zhang, Ellen L. Hamaker, Ali Shamsollahi, Dean C. Pierides, Peter Koval, Ed Diener

Nonacceptance of emotion is consistently linked with increased levels of psychopathology and diminished well-being. Research has found that negative emotion and nonacceptance of emotion are positively associated cross-sectionally but has yet to directly investigate temporal associations between these constructs. Given that negative emotions are frequently the target of negative thoughts and other emotions, and that acceptance of emotion is associated with prospective decreases in negative emotion, we hypothesized that the temporal relation between negative emotion and nonacceptance of emotion is bidirectional. The present study examined the association between these variables during people's daily lives using an experience sampling methodology. Multilevel modeling was used for all analyses, including hierarchical generalized linear modeling and log-normal hurdle modeling. A total of 187 women from the United States and Australia reported negative emotion and nonacceptance of emotion 14 times a day for 5 days. Negative emotion and nonacceptance of emotion were positively associated contemporaneously. Across time, nonacceptance of emotion was prospectively and positively associated with the intensity of negative emotion independent of immediately prior negative emotion, and negative emotion intensity was prospectively and positively associated with nonacceptance of emotion independent of immediately prior nonacceptance. Results support a bidirectional model of negative emotion and nonacceptance of emotion wherein each variable predicts increases in the other across time. Our findings elucidate how individuals fall into maladaptive emotional patterns that are difficult to break and could possibly pave the way to the development and maintenance of psychopathology. (PsycInfo Database Record (c) 2020 APA, all rights reserved).

In this study, we examine how daily life fluctuations in positive affect (PA) and negative afect (NA) relate to mixed emotions—that is, simultaneous positive and negative feelings. We utilised three experience sampling studies (total N = 275), in which participants reported their affect 10 times each day for up to 14 days. Because people generally experience fairly stable moderate levels of PA in daily life, we proposed that mixed emotions would typically occur when NA increases and overlaps with, but does not entirely eliminate, PA. Accordingly, within individuals, we found that mixed emotions in daily life were more strongly predicted by changes in NA and the occurrence of negative events than by changes in PA and positive events. At the between–person level, individuals with more variable NA, more stable PA, and higher trait Neuroticism scores experienced higher average levels of mixed emotions. Further, we found evidence that the average magnitude of NA increases may partially mediate the association between Neuroticism and mixed emotions. We also found that positive predictors of mixed emotions are negative predictors of individuals’ within–person PA/NA correlations—that is, affective synchrony. Our findings elucidate trait predictors and affective dynamics of daily life mixed emotions, which appear closely intertwined with NA variability. © 2020 European Association of Personality Psychology

Introduction: Interactive audience response during continuing education (CE) in pharmacy practice increases audience involvement. However, remote-site participants may not have access to interactive technology. This study explores the perceptions of a mobile application audience response system (ARS) by remote pharmacy CE participants. Secondarily, we evaluatedinterest in continued use of ARS, as well as willingness to use as an assessment tool for CE effectiveness. Methods: Pharmacists participating in CE sessions remotely within a health system were provided a unique ARS session code to enter into a free mobile application. Participants then responded to ARS presentation questions. An online survey link was e-mailed to all potential remote participants inquiring about perceptions of ARS use. Results: Of the 52 potential remote users, 28 (53.8%) responded to the survey. The top 3 positive responses included the availability of free software (71.4%), anonymity (57.1%), and ease of use (53.6%). Top 2 barriers included slowing the process down (14.3%) and requiring the use of application software (14.3%). Discussion: Interactive software during pharmacy CE lectures for participants at remote locations within a health system was well accepted. ARS should be considered and further studied for CE lectures at institutions with remote participants.

Emotion regulation (ER) repertoire-the range of different ER strategies an individual utilizes across situations-is assumed to enable more adaptive ER and greater well-being. ER repertoire has been operationalized by a quantitative index (sum of ER strategies across situations) or by applying a person-centered approach to global self-reports of dispositional ER. We aimed to assess ER repertoire in daily life by using an experience sampling methodology (ESM) and a person-centered approach that could account for nested data. We used multilevel latent profile analyses of ESM data (N = 179, 9-10 prompts per day over 21 days) to (a) group the occasions into latent profiles of momentary ER strategies, (b) group individuals whose distributions of ER profiles differed across occasions into latent classes, and (c) examine well-being correlates of class membership at the person level. At the occasion level, we identified nine ER profiles that differed in degree of use (e.g., no use of any vs. strong use of all strategies) and in specific combinations of strategies (e.g., situation selection and acceptance vs. suppression and ignoring). At the person level, we identified 5 classes of individuals differing in the degree to which they used various momentary ER profiles versus one predominant profile across situations. Well-being was highest for individuals who used multiple ER profiles of active strategies and lowest for individuals who used ER profiles focused on suppression. Hence, both ER repertoire width and the specific make-up of the ER repertoire were relevant for the relation between ER repertoire and well-being. (PsycINFO Database Record (c) 2019 APA, all rights reserved). ispartof: Emotion vol:20 issue:8 pages:1462-1474 ispartof: location:United States status: published

The use of atomic orbitals in Hedin's

Mobile self-reports are a popular technique to collect participant labelled data in the wild. While literature has focused on increasing participant compliance to self-report questionnaires, relatively little work has assessed response accuracy. In this paper, we investigate how participant context can affect response accuracy and help identify strategies to improve the accuracy of mobile self-report data. In a 3-week study we collect over 2,500 questionnaires containing both verifiable and non-verifiable questions. We find that response accuracy is higher for questionnaires that arrive when the phone is not in ongoing or very recent use. Furthermore, our results show that long completion times are an indicator of a lower accuracy. Using contextual mechanisms readily available on smartphones, we are able to explain up to 13% of the variance in participant accuracy. We offer actionable recommendations to assist researchers in their future deployments of mobile self-report studies.

IntroductionSpecialised early intervention services have demonstrated improved outcomes in first-episode psychosis (FEP); however, clinical gains may not be sustained after patients are transferred to regular care. Moreover, many patients with FEP remain socially isolated with poor functional outcomes. To address this, our multidisciplinary team has developed a moderated online social media therapy (HORYZONS) designed to enhance social functioning and maintain clinical gains from specialist FEP services. HORYZONS merges: (1) peer-to-peer social networking; (2) tailored therapeutic interventions; (3) expert and peer-moderation; and (4) new models of psychological therapy (strengths and mindfulness-based interventions) targeting social functioning. The aim of this trial is to determine whether following 2 years of specialised support and 18-month online social media-based intervention (HORYZONS) is superior to 18 months of regular care.Methods and analysisThis study is a single-blind randomised controlled trial. The treatment conditions include HORYZONS plus treatment as usual (TAU) or TAU alone. We recruited 170 young people with FEP, aged 16–27 years, in clinical remission and nearing discharge from Early Psychosis Prevention and Intervention Centre, Melbourne. The study includes four assessment time points, namely, baseline, 6-month, 12-month and 18-month follow-up. The study is due for completion in July 2018 and included a 40-month recruitment period and an 18-month treatment phase. The primary outcome is social functioning at 18 months. Secondary outcome measures include rate of hospital admissions, cost-effectiveness, vocational status, depression, social support, loneliness, self-esteem, self-efficacy, anxiety, psychological well-being, satisfaction with life, quality of life, positive and negative psychotic symptoms and substance use. Social functioning will be also assessed in real time through our Smartphone Ecological Momentary Assessment tool.Ethics and disseminationMelbourne Health Human Research Ethics Committee (2013.146) provided ethics approval for this study. Findings will be made available through scientific journals and forums and to the public via social media and the Orygen website.Trial registration numberACTRN12614000009617; Pre-results.

The use of atomic orbitals in Hedin's GW approximation provides, in principle, an inexpensive alternative to plane-wave basis sets, especially when modeling large molecules. However, benchmarking of the algorithms and basis sets is essential for a careful balance between cost and accuracy. In this paper, we present an implementation of the GW approximation using numerical atomic orbitals and a pseudopotential treatment of core electrons. The combination of a contour deformation technique with a one-shot extraction of quasiparticle energies provides an efficient scheme for many applications. The performance of the implementation with respect to the basis set convergence and the effect of the use of pseudopotentials has been tested for the 117 closed-shell molecules from the G2/97 test set and 24 larger acceptor molecules from another recently proposed test set. Moreover, to demonstrate the potential of our method, we compute the thermally averaged GW density of states of a large photochromic compound by sampling ab initio molecular dynamics trajectories at different temperatures. The computed thermal line widths indicate approximately twice as large electron-phonon couplings with GW than with standard DFT-GGA calculations. This is further confirmed using frozen-phonon calculations.

Antipsychotic medication has been the mainstay of treatment for psychotic illnesses for over 60 years. This has been associated with improvements in positive psychotic symptoms and a reduction in relapse rates. However, there has been little improvement in functional outcomes for people with psychosis. At the same time there is increasing evidence that medications contribute to life shortening metabolic and cardiovascular illnesses. There is also uncertainty as to the role played by antipsychotic medication in brain volume changes. Aim The primary aim of the study is, in a population of young people with first-episode psychosis, to compare functional outcomes between an antipsychotic dose reduction strategy with evidence-based intensive recovery treatment (EBIRT) group (DRS+) and an antipsychotic maintenance treatment with EBIRT group (AMTx+) at 24-months follow-up. Methods Our single-blind randomized controlled trial, within a specialist early psychosis treatment setting, will test the whether the DRS+ group leads to better vocational and social recovery than, the AMTx+ group over a 2-year period in 180 remitted first-episode psychosis patients. Additionally, we will examine the effect of DRS+ vs AMTx+ on physical health, brain volume and cognitive functioning. This study will also determine whether the group receiving DRS+ will be no worse off in terms of psychotic relapses over 2 years follow-up. Results This paper presents the protocol, rationale and hypotheses for this study which commenced recruitment in July 2017. Conclusion This study will provide evidence as to whether an antipsychotic dose-reduction recovery treatment leads to improved functioning and safer outcomes in first-episode psychosis patients. In addition, it will be the first-controlled experiment of the effect of exposure to antipsychotic maintenance treatment on brain volume changes in this population.

A recent experimental study of the energy losses of various ions in titanium nitride, in the low-energy range [M. A. Sortica, Sci. Rep. 9, 176 (2019)2045-232210.1038/s41598-018-36765-7], showed a striking departure of the measured values from those predicted by density functional theory. They suggested electron promotion in atomic collisions between dressed atoms as an explanation. In this Rapid Communication, we investigate the process of energy loss of slow ions in TiN using theoretical formulations that are based, on one side, on self-consistent models of nonlinear screening and quantum scattering theory, and on the other, on ab initio computations of the electron-density profile of titanium nitride. Two theoretical approaches are considered to determine the average energy transfer: One is based on the local-density approximation for the inhomogeneous electron gas corresponding to the calculated density of TiN, and the other is based on the Penn model for the convolution of the inhomogeneous electron-gas response based on a measured electron-loss function. Both approaches produce very similar results and are in remarkable agreement with the experimental data, indicating that the observed enhancement in the energy-loss values is due to the contribution of a range of electron densities in the TiN compound. Fil: Matias Da Silva, Flávio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina Fil: Grande, P. L.. Universidade Federal do Rio Grande do Sul; Brasil Fil: Vos, M.. The Australian National University; Australia Fil: Koval, Peter. Donostia International Physics Center; España Fil: Koval, Natalia E.. Comisión de Investigaciones Científicas. Nanogune; España Fil: Arista, Nestor Ricardo. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; Argentina

Naturalistic studies of emotional reactivity in depression have repeatedly found larger decreases in negative affect (NA) among depressed individuals in response to daily positive events. This so-called mood-brightening (MB) effect represents a theoretical and empirical oddity. The current study is a secondary analysis investigating whether the MB effect is moderated by spontaneous use of emotion regulation strategies, which have been implicated in the maintenance and modulation of NA in prior work. Participants (N = 95) representing a large spectrum of depressive symptom severity reported their experiences of NA and the occurrence of positive events in daily life over the course of seven days using the experience sampling method. Our findings replicate and build upon those of prior studies relating to the MB effect in the following ways: (1) we observed the MB effect for specific negative emotions of sadness, anger, anxiety; and (2) we found evidence that the MB effect is moderated by spontaneous use of rumination, distraction, and expressive suppression, which have been shown to enhance or dampen NA. The role of emotion regulation strategies in daily emotional reactivity to pleasant events is discussed. ispartof: Cognition and Emotion vol:33 issue:6 pages:1291-1301 ispartof: location:England status: published

Sexual objectification, particularly of young women, is highly prevalent in modern industrialized societies. Although there is plenty of experimental and cross-sectional research on objectification, prospective studies investigating the prevalence and psychological impact of objectifying events in daily life are scarce. We used ecological momentary assessment to track the occurrence of objectifying events over 1 week in the daily lives of young women (N = 81). Participants reported being targeted by a sexually objectifying event - most often the objectifying gaze - approximately once every 2 days and reported witnessing sexual objectification of others approximately 1.35 times per day. Further, multilevel linear regression analyses showed that being targeted by sexual objectification was associated with a substantial increase in state self-objectification. Overall, individual differences had little impact in moderating these effects.

Objective While in general arousal increases with positive or negative valence (a so-called V-shaped relation), there are large differences among individuals in how these two fundamental dimensions of affect are related in people's experience. In two studies, we examined two possible sources of this variation: personality and culture. Method In Study 1, participants (Belgian university students) recalled a recent event that was characterized by high or low valence or arousal and reported on their feelings and their personality in terms of the Five-Factor Model. In Study 2, participants from Canada, China/Hong Kong, Japan, Korea, and Spain reported on their feelings in a thin slice of time and on their personality. Results In Study 1, we replicated the V-shape as characterizing the relation between valence and arousal, and identified personality correlates of experiencing particular valence-arousal combinations. In Study 2, we documented how the V-shaped relation varied as a function of Western versus Eastern cultural background and personality. Conclusions The results showed that the steepness of the V-shaped relation between valence and arousal increases with Extraversion within cultures, and with a West-East distinction between cultures. Implications for the personality-emotion link and research on cultural differences in affect are discussed.

Affective instability, conceptualized as fluctuations in mood over time, has been related to ill-health and psychopathology. In this study, we examined the role of affective instability on daily pain outcomes in 70 patients with chronic pain (M-age = 49.7 years; 46 females) using an end-of-day diary. During a baseline phase, patients completed self-reported questionnaires of pain severity, pain duration, disability, depression, and anxiety. During a subsequent diary phase, patients filled out an electronic end-of-day diary over 14 consecutive days assessing daily levels of pain severity, disability, cognitive complaints, negative affect (NA) and positive affect. Affective instability was operationalized as the mean square of successive differences in daily mood (separately for NA and positive affect), which takes into account the size of affective changes over consecutive days. Results indicated that NA instability was positively associated with daily disability, beyond the effects of daily pain severity. Furthermore, NA instability moderated the relationship between daily pain severity and daily disability and the relationship between daily pain severity and daily cognitive complaints. Positive affect instability, however, showed to be unrelated to all outcomes. Current findings extend previous results and reveal the putative role of affective instability on pain-related outcomes and may yield important clinical implications. Indeed, they suggest that targeting NA instability by improving emotion regulation skills may be a strategy to diminish disability and cognitive complaints in patients with chronic pain.

According to social baseline theory (Beckes & Coan, 2011), load sharing is a feature of close relationships whereby the burden of emotional distress is distributed across relationship partners. Load sharing varies by physical closeness and relationship quality. We investigated the effect of load sharing on emotional arousal via galvanic skin response, an indicator of sympathetic nervous system arousal, during a social stressor. Social stress was elicited in 66 adolescent girls (Mage = 15 years) using a spontaneous public-speaking task. Mother−daughter dyads reported their relationship quality, and physical closeness was manipulated by having mothers either touch or not touch their daughter’s hand during the performance. We found evidence of load sharing among dyads who held hands, independent of relationship quality. However, without physical contact, load sharing was only evident among dyads with higher relationship quality. Thus, high relationship quality buffers against threat in a similar way to the physical comfort of a loved one.

Emotion differentiation, the ability to make fine-grained distinctions between emotional states, has mainly been studied as a trait. In this research, we examine within-person fluctuations in emotion differentiation and hypothesize that stress is a central factor in predicting these fluctuations. We predict that experiencing stress will result in lower levels of emotion differentiation. Using data from a 3-wave longitudinal experience sampling study, we examined the within-person fluctuations in the level of emotion differentiation across days and months and tested if these fluctuations related to changes in stress levels. On the day-level, we found that differentiation of negative emotions varied significantly within individuals, that high stress levels were associated with lower levels of emotion differentiation, and that stress on 1 day negatively predicted the level of differentiation of negative emotions on a next day (but not vice versa). On the wave-level, we found a concurrent, but not a prospective relationship between stress and emotion differentiation. These results are the first to directly demonstrate the role of stress in predicting fluctuations in emotion differentiation and have implications for our theoretical understanding of emotion differentiation, as well as for interventions. (PsycINFO Database Record ispartof: JOURNAL OF PERSONALITY AND SOCIAL PSYCHOLOGY vol:115 issue:2 pages:179-191 ispartof: location:United States status: published

People differ in the extent to which they experience positive (PA) and negative affect (NA) rather independently or as bipolar opposites. Here, we examine the proposition that the nature of the relation between positive and negative affect in a person's emotional experience is indicative of psychological well-being, in particular the experience of depressive symptoms, typically characterized by diminished positive affect (anhedonia) and increased negative affect (depressed mood). In three experience sampling studies, we examine how positive and negative affective states are related within people's emotional experience in daily life and how the degree of bipolarity of this relation is associated with depressive symptom severity. In Study 1 and 2, we show both concurrently and longitudinally that a stronger bipolar PA-NA relationship is associated with, and in fact is predicted by, higher depressive symptom severity, even after controlling for mean levels of positive and negative affect. In Study 3, we replicate these findings in a daily diary design, with the two conceptually related main symptoms of depression, sadness, and anhedonia, as specific manifestations of high NA and low PA, respectively. Across studies, additional analyses indicate these results are robust across different time scales and various PA and NA operationalizations and that affective bipolarity shows particular specificity toward depressive symptomatology, in comparison with anxiety symptoms. Together, these findings demonstrate that depressive symptoms involve stronger bipolarity between positive and negative affect, reflecting reduced emotional complexity and flexibility. (PsycINFO Database Record

Plasmonic gaps are known to produce nanoscale localization and enhancement of optical fields, providing small effective mode volumes of about a few hundred nm. Atomistic quantum calculations based on time-dependent density functional theory reveal the effect of subnanometric localization of electromagnetic fields due to the presence of atomic-scale features at the interfaces of plasmonic gaps. Using a classical model, we explain this as a nonresonant lightning rod effect at the atomic scale that produces an extra enhancement over that of the plasmonic background. The near-field distribution of atomic-scale hot spots around atomic features is robust against dynamical screening and spill-out effects and follows the potential landscape determined by the electron density around the atomic sites. A detailed comparison of the field distribution around atomic hot spots from full quantum atomistic calculations and from the local classical approach considering the geometrical profile of the atoms' electronic density validates the use of a classical framework to determine the effective mode volume in these extreme subnanometric optical cavities. This finding is of practical importance for the community of surface-enhanced molecular spectroscopy and quantum nanophotonics, as it provides an adequate description of the local electromagnetic fields around atomic-scale features with use of simplified classical methods., Financial support from Project No. FIS2016-80174-P and MAT2016-78293-C6-4-R of MINECO, grant of Consolidated Groups at UPV/EHU (IT-756-13) of the Basque Government, and project 70NANB15H32 from U.S. Department of Commerce, National Institute of Standards and Technology, is acknowledged. M.U. acknowledges support from the University of the Basque Country through a Ph.D. grant, as well as DIPC and CFM at the initial stages of this work. M.B. acknowledges support from the Departamento de Educacion of the Basque Government through a Ph.D. grant, as well as from Euskampus and the DIPC at the initial stages of this work. P.K. acknowledges financial support from the Fellows Gipuzkoa program of the Gipuzkoako Foru Aldundia through the FEDER funding scheme of the European Union, “Una manera de hacer Europa”.

We present an algorithm and its implementation to calculate the properties of electronic excitations in molecules and clusters from first principles, using time-dependent density functional theory (TDDFT). The algorithm assumes the use of some localized functions as a basis set to represent the spatial degrees of freedom. It relies on an iterative computation of the induced density according to the Dyson-like equation for the linear response function. The current implementation is built upon so-called numerical atomic orbitals. It is suitable for a wide variety of density functional theory (DFT) software. In this work, we demonstrate TDDFT calculations starting from preceding DFT runs with SIESTA, GPAW and PySCF packages, while a coupling with the other DFT packages such as Fireball and OpenMX is planned. The mentioned packages are capable of performing ab initio molecular dynamics simulations, and the speed of our TDDFT implementation makes feasible to perform a configuration average of the optical absorption spectra. Our code is written mostly in Python language allowing for a quick and compact implementation of most numerical methods and data-managing tasks with the help of NumPy/SciPy libraries and Python intrinsic constructs. Part of the code is written in C and Fortran to achieve a competitive speed in particular sections of the algorithm. Many parts of the current algorithm and implementation are useful in other ab initio methods for electronic excited states, such as Hedin¿s GW, Bethe¿Salpeter equation and DFT with hybrid functionals. Corresponding proof-of-principles implementations are already part of the code., PK and DSP acknowledge support from Spanish MINECO Grants MAT2016-78293-C6-4-R and RTC-2016-5681-7 (SIESTA-PRO). PKacknowledges financial support from the Fellows Gipuzkoa program of the Gipuzkoako Foru Aldundia through the FEDER fundings cheme of the European Union.MB acknowledges support from the Departemento de Educación of the Basque Government through aPhD grant, as well as from Euskampus and the DIPC at the initial stages of this work

We discuss three varieties of affective dynamics (affective instability, emotional inertia, and emotional differentiation). In each case, we suggest how these affective dynamics should be operationalized and measured in daily life using time-intensive methods, like ecological momentary assessment or ambulatory assessment, and recommend time-sensitive analyses that take into account not only the variability but also the temporal dependency of reports. Studies that explore how these affective dynamics are associated with psychological disorders and symptoms are reviewed, and we emphasize that these affective processes are within a nexus of other components of emotion regulation. ispartof: Emotion Review vol:7 issue:4 pages:355-361 ispartof: location:England status: published

Introduction: As we move from a fee-for-service system to a value-based payment system, ongoing quality improvement projects have become the norm. We chose to evaluate whether academic detailing by a pharmacist is an effective means of increasing knowledge among family medicine residents of the need to monitor for iron deficiency in chronic heart failure (CHF) patients. Methods: We identified the baseline number of iron levels obtained for CHF patients and surveyed all 24 residents to evaluate baseline knowledge of the association between iron deficiency and CHF. Residents met with a pharmacist on clinic days to discuss iron deficiency and CHF and received an educational handout and a list of their CHF patients. Periodic reminders were first sent electronically to residents followed by in-person reminders from the pharmacist for patients seen that day in clinic. Results: At baseline, 16 (3%) of 488 CHF patients had an iron level collected within the past year. Initial survey results showed only one resident (4.2%) reported knowledge of monitoring iron in CHF patients. After academic detailing, residents ordered iron panels on 234 patients. Of these, 98 patients (42%) were found to be iron deficient. On postintervention analysis, all residents surveyed (20) reported that they would monitor iron in CHF patients (P

Pentacene molecules have recently been observed to form a well-ordered monolayer on the (110) surface of rutile TiO, with the molecules adsorbed lying flat, head to tail. With the geometry favorable for direct optical excitation and given its ordered character, this interface seems to provide an intriguing model to study charge-transfer excitations where the optically excited electrons and holes reside on different sides of the organic-inorganic interface. In this work, we theoretically investigate the structural and electronic properties of this system by means of ab initio calculations and compute its excitonic absorption spectrum. Molecular states appear in the band gap of the clean TiO surface, which enables charge-transfer excitations directly from the molecular HOMO to the TiO conduction band. The calculated optical spectrum shows a strong polarization dependence and displays excitonic resonances corresponding to the charge-transfer states, which could stimulate new experimental work on the optical response of this interface., This work was financed by the Deutsche Forschungsgemeinschaft (DFG) through the SFB 1083 project. MPL, DSP and PK also acknowledges support from Spanish MINECO (Grants No. MAT2013-46593-C6-2-P and MAT2016-78293-C6-4-R) and PK also acknowledges financial support from Fellows Guipuzcoa program from Gipuzkoako Foru Aldundia through the FEDER funding scheme of the European Union.

Purpose American Society of Health-System Pharmacists (ASHP) defines pharmacy resident growth as preceptors as an objective for ASHP-accredited pharmacy residencies. ASHP recognizes instructing, modeling, coaching, and facilitating as precepting roles necessary for effective teaching. Currently, there is no standard, validated tool for pharmacy resident–preceptor evaluations. Student evaluations meet ASHP requirements for evaluating preceptor effectiveness. The purpose of this pilot study was to implement a process for utilizing student evaluations in developing and evaluating pharmacy residents as preceptors. Methods Pharmacy students that completed advanced pharmacy practice experiences (APPE) during 2010–2011 with pharmacy resident co-preceptors were included. SurveyMonkey™ links were provided to evaluate residents as co-preceptors for the APPE. Residents’ evaluations were summarized and reviewed with them; residents were asked to complete resident response surveys and develop precepting strategies from the feedback. Results A total of 23 pharmacy student evaluations were completed for eight pharmacy residents, and eight residents completed the response survey. No residents received negative evaluations. All residents were recommended by the students to be future preceptors. Overall, 86% of the residents indicated the feedback was useful for preceptor growth and development. The students and residents mostly agreed on their abilities regarding modeling and coaching; their responses differed slightly regarding instructing and facilitating. Residents developed several tools to utilize for future precepting responsibilities and development based on their feedback. Preceptor training is noted as a desirable option. Conclusion Pharmacy student evaluation of pharmacy residents may be an effective method for obtaining feedback for residents on their precepting skills to foster preceptor development.

Family members caring for a young person diagnosed with the onset of mental health problems face heightened stress, depression, and social isolation. Despite evidence for the effectiveness of family based interventions, sustaining access to specialist family interventions is a major challenge. The availability of the Internet provides possibilities to expand and sustain access to evidence-based psychoeducation and personal support for family members. In this paper we describe the therapeutic model and the components of our purpose-built moderated online social therapy (MOST) program for families. We outline the background to its development, beginning with our face-to-face EPISODE II family intervention, which informed our selection of therapeutic content, and the integration of recent developments in positive psychology. Our online interventions for carers integrate online therapy, online social networking, peer and expert support, and online social problem solving which has been designed to reduce stress in carers. The initial version of our application entitled Meridian was shown to be safe, acceptable, and feasible in a feasibility study of carers of youth diagnosed with depression and anxiety. There was a significant reduction in self-reported levels of stress in caregivers and change in stress was significantly correlated with use of the system. We have subsequently launched a cluster RCT for caregivers with a relative diagnosed with first-episode psychosis. Our intervention has the potential to improve access to effective specialist support for families facing the onset of serious mental health problems in their young relative.

Depression not only involves disturbances in prevailing affect, but also in how affect fluctuates over time. Yet, precisely which patterns of affect dynamics are associated with depressive symptoms remains unclear; depression has been linked with increased affective variability and instability, but also with greater resistance to affective change (inertia). In this paper, we argue that these paradoxical findings stem from a number of neglected methodological/analytical factors, which we address using a novel paradigm and analytic approach. Participants (N = 99), preselected to represent a wide range of depressive symptoms, watched a series of emotional film clips and rated their affect at baseline and following each film clip. We also assessed participants’ affect in daily life over 1 week using experience sampling. When controlling for overlap between different measures of affect dynamics, depressive symptoms were independently associated with higher inertia of negative affect in the lab, and with greater negative affect variability both in the lab and in daily life. In contrast, depressive symptoms were not independently related to higher affective instability either in daily life or in the lab.

The ability to regulate emotions is central to well-being, but healthy emotion regulation may not merely be about using the "right" strategies. According to the strategy-situation-fit hypothesis, emotion-regulation strategies are conducive to well-being only when used in appropriate contexts. This study is the first to test the strategy-situation-fit hypothesis using ecological momentary assessment of cognitive reappraisal-a putatively adaptive strategy. We expected people who used reappraisal more in uncontrollable situations and less in controllable situations to have greater well-being than people with the opposite pattern of reappraisal use. Healthy participants ( n = 74) completed measures of well-being in the lab and used a smartphone app to report their use of reappraisal and perceived controllability of their environment 10 times a day for 1 week. Results supported the strategy-situation-fit hypothesis. Participants with relatively high well-being used reappraisal more in situations they perceived as lower in controllability and less in situations they perceived as higher in controllability. In contrast, we found little evidence for an association between greater well-being and greater mean use of reappraisal across situations.

The correlation between transport properties across subnanometric metallic gaps and the optical response of the system is a complex effect that is determined by the fine atomic-scale details of the junction structure. As experimental advances are progressively accessing transport and optical characterization of smaller nanojunctions, a clear connection between the structural, electronic, and optical properties in these nanocavities is needed. Using ab initio calculations, we present here a study of the simultaneous evolution of the structure and the optical response of a plasmonic junction as the particles forming the cavity, two Na380 clusters, approach and retract. Atomic reorganizations are responsible for a large hysteresis of the plasmonic response of the system, which shows a jump-to-contact instability during the approach process and the formation of an atom-sized neck across the junction during retraction. Our calculations demonstrate that, due to the quantization of the conductance in metal nanocontacts, atomic-scale reconfigurations play a crucial role in determining the optical response of the whole system. We observe abrupt changes in the intensities and spectral positions of the dominating plasmon resonances and find a one-to-one correspondence between these jumps and those of the quantized transport as the neck cross-section diminishes. These results reveal an important connection between transport and optics at the atomic scale, which is at the frontier of current optoelectronics and can drive new options in optical engineering of signals driven by the motion and manipulation of single atoms., We acknowledge financial support from Projects FIS2013-41184-P and MAT2013-46593-C6-2-P from MINECO. M.B., P.K., F.M., and D.S.P. also acknowledge support from the ANR-ORGAVOLT project and the Euroregion Aquitaine-Euskadi program. M.B. acknowledges support from the Departamento de Educacion of the Basque Government through a Ph.D. grant. P.K. acknowledges financial support from the Fellows Gipuzkoa program of the Gipuzkoako Foru Aldundia through the FEDER funding scheme of the European Union. J.A. also acknowledges support from Grant 70NANB15H321, “PLASMOQUANTUM”, from the US Department of Commerce (NIST).

Previous studies have linked higher emotional inertia (i.e., a stronger autoregressive slope of emotions) with lower well-being. We aimed to replicate these findings, while extending upon previous research by addressing a number of unresolved issues and controlling for potential confounds. Specifically, we report results from two studies (Ns = 100 and 202) examining how emotional inertia, assessed in response to a standardized sequence of emotional stimuli in the lab, correlates with several measures of well-being. The current studies build on previous research by examining how inertia of both positive emotions (PE) and negative emotions (NE) relates to positive (e.g., life satisfaction) and negative (e.g., depressive symptoms) indicators of well-being, while controlling for between-person differences in the mean level and variability of emotions. Our findings replicated previous research and further revealed that (a) NE inertia was more strongly associated with lower well-being than PE inertia; (b) emotional inertia correlated more consistently with negative indicators (e.g., depressive symptoms) than positive indicators (e.g., life satisfaction) of well-being; and (c) these relationships were independent of individual differences in mean level and variability of emotions. We conclude, in line with recent findings, that higher emotional inertia, particularly of NE, may be an indicator of increased vulnerability to depression. ispartof: Frontiers in Psychology vol:6 issue:JAN ispartof: location:Switzerland status: published

The ability to regulate emotions is central to well-being, but healthy emotion regulation may not merely be about using the "right" strategies. According to the strategy-situation-fit hypothesis, emotion-regulation strategies are conducive to well-being only when used in appropriate contexts. This study is the first to test the strategy-situation-fit hypothesis using ecological momentary assessment of cognitive reappraisal-a putatively adaptive strategy. We expected people who used reappraisal more in uncontrollable situations and less in controllable situations to have greater well-being than people with the opposite pattern of reappraisal use. Healthy participants ( n = 74) completed measures of well-being in the lab and used a smartphone app to report their use of reappraisal and perceived controllability of their environment 10 times a day for 1 week. Results supported the strategy-situation-fit hypothesis. Participants with relatively high well-being used reappraisal more in situations they perceived as lower in controllability and less in situations they perceived as higher in controllability. In contrast, we found little evidence for an association between greater well-being and greater mean use of reappraisal across situations. ispartof: Psychological Science vol:27 issue:12 pages:1651-1659 ispartof: location:United States status: published

Emotional inertia—the degree to which people's feelings carry over from one moment to the next—is an important property of the temporal dynamics of emotions. Thus far, emotional inertia has only been examined as a stable, trait-like characteristic. However, internal or external events (e.g., stress) may trigger changes in people's emotion dynamics, particularly among individuals with heightened sensitivity to such events. The current study investigated how emotional inertia is influenced by the anticipation of social stress, and how this effect is moderated by individual differences in depression, self-esteem, and fear of negative evaluation. We measured participants' (n = 71) emotional inertia in daily life using experience sampling before and after experimentally manipulating anticipatory social stress. Consistent with previous research, psychological maladjustment was associated with higher emotional inertia during 'normal' daily life. However, when anticipating a socially stressful event, levels of emotional inertia dropped, particularly among participants scoring high on depression and fear of negative evaluation and low on self-esteem. These results demonstrate that emotion dynamics can vary as a function of contextual factors and identify moderators of such variation.

arXiv:1512.02104v2, We present a study of the optical response of compact and hollow icosahedral clusters containing up to 868 silver atoms by means of time-dependent density functional theory. We have studied the dependence on size and morphology of both the sharp plasmonic resonance at 3–4 eV (originated mainly from sp-electrons), and the less studied broader feature appearing in the 6–7 eV range (interband transitions). An analysis of the effect of structural relaxations, as well as the choice of exchange correlation functional (local density versus generalised gradient approximations) both in the ground state and optical response calculations is also presented. We have further analysed the role of the different atom layers (surface versus inner layers) and the different orbital symmetries on the absorption cross-section for energies up to 8 eV. We have also studied the dependence on the number of atom layers in hollow structures. Shells formed by a single layer of atoms show a pronounced red shift of the main plasmon resonances that, however, rapidly converge to those of the compact structures as the number of layers is increased. The methods used to obtain these results are also carefully discussed. Our methodology is based on the use of localised basis (atomic orbitals, and atom-centered and dominant-product functions), which bring several computational advantages related to their relatively small size and the sparsity of the resulting matrices. Furthermore, the use of basis sets of atomic orbitals also allows the possibility of extending some of the standard population analysis tools (e.g. Mulliken population analysis) to the realm of optical excitations. Some examples of these analyses are described in the present work., This work is supported, in part, by the ORGAVOLT (ORGAnic solar cell VOLTage by numerical computation) Grant ANR-12-MONU-0014-02 of the French Agence Nationale de la Recherche (ANR) 2012 Programme Modèles Numériques. F Marchesin, P Koval and D Sánchez-Portal acknowledge support from the Deutsche Forschungsgemeinschaft (DFG) through the sfb1083 project, the Spanish mineco MAT2013-46593-C6-2-P project, the Euroregion Aquitaine-Euskadi program and from the Basque Departamento de Educación, upv/ehu (Grant No. IT-756-13). Peter Koval acknowledges financial support from the Fellows Gipuzkoa program of the Gipuzkoako Foru Aldundia through the FEDER funding scheme of the European Union.

This article belongs to the Special Issue 50th Anniversary of the Kohn-Sham Theory—Advances in Density Functional Theory., Ionization potentials (IPs) and electron affinities (EAs) are important quantities input into most models for calculating the open-circuit voltage (Voc) of organic solar cells. We assess the semi-empirical density-functional tight-binding (DFTB) method with the third-order self-consistent charge (SCC) correction and the 3ob parameter set (the third-order DFTB (DFTB3) organic and biochemistry parameter set) against experiments (for smaller molecules) and against first-principles GW (Green’s function, G, times the screened potential, W) calculations (for larger molecules of interest in organic electronics) for the calculation of IPs and EAs. Since GW calculations are relatively new for molecules of this size, we have also taken care to validate these calculations against experiments. As expected, DFTB is found to behave very much like density-functional theory (DFT), but with some loss of accuracy in predicting IPs and EAs. For small molecules, the best results were found with ΔSCF (Δ self-consistent field) SCC-DFTB calculations for first IPs (good to ± 0.649 eV). When considering several IPs of the same molecule, it is convenient to use the negative of the orbital energies (which we refer to as Koopmans’ theorem (KT) IPs) as an indication of trends. Linear regression analysis shows that KT SCC-DFTB IPs are nearly as accurate as ΔSCF SCC-DFTB eigenvalues (± 0.852 eV for first IPs, but ± 0.706 eV for all of the IPs considered here) for small molecules. For larger molecules, SCC-DFTB was also the ideal choice with IP/EA errors of ± 0.489/0.740 eV from ΔSCF calculations and of ± 0.326/0.458 eV from (KT) orbital energies. Interestingly, the linear least squares fit for the KT IPs of the larger molecules also proves to have good predictive value for the lower energy KT IPs of smaller molecules, with significant deviations appearing only for IPs of 15–20 eV or larger. We believe that this quantitative analysis of errors in SCC-DFTB IPs and EAs may be of interest to other researchers interested in DFTB investigation of large and complex problems, such as those encountered in organic electronics., This work is supported, in part, by the ORGAVOLT (ORGAnic solar cell VOLTage by numerical computation) Grant ANR-12-MONU-0014-02 of the French Agence Nationale de la Recherche (ANR) 2012 Programme Modèles Numériques. Mathias P. Ljungberg, Peter Koval and Daniel Sánchez-Portal acknowledge support from the Deutsche Forschungsgemeinschaft (DFG) through the SFB (Sonderforschungsbereich) 1083 project, the Spanish MINECO (Ministerio de Economía y Competitividad) MAT2013-46593-C6-2-P project and the Euroregion Aquitaine-Euskadi program and support from the Basque Departamento de Educación, UPV/EHU (University of the Basque Country) (Grant No. IT-756-13). Peter Koval acknowledges financial support from the Fellows Gipuzkoa program of the Gipuzkoako Foru Aldundia through the FEDER funding scheme of the European Union. Ala Aldin M. H. M. Darghouth would like to thank the French and Iraq governments for support through a Campus France scholarship. Walid Taouali would like to acknowledge support from the government of Tunisia.

Four studies investigated whether people tend to see ingroup flaws as part of human nature (HN) to a greater degree than outgroup flaws. In Study 1, people preferentially ascribed high HN flaws to their ingroup relative to two outgroups. Study 2 demonstrated that flaws were rated higher on HN when attributed to the ingroup than when attributed to an outgroup, and no such difference occurred for positive traits. Study 3 replicated this humanizing ingroup flaws (HIF) effect and showed that it was (a) independent of desirability and (b) specific to the HN sense of humanness. Study 4 replicated the results of Study 3 and demonstrated that the HIF effect is amplified under ingroup identity threat. Together, these findings show that people humanize ingroup flaws and preferentially ascribe high HN flaws to the ingroup. These ingroup humanizing biases may serve a group-protective function by mitigating ingroup flaws as “only human.”

Being human implies a particular moral status: having moral value, agency, and responsibility. However, people are not seen as equally human. Across two studies, we examine the consequences that subtle variations in the perceived humanness of actors or groups have for their perceived moral status. Drawing on Haslam's two-dimensional model of humanness and focusing on three ways people may be considered to have moral status - moral patiency (value), agency, or responsibility - we demonstrate that subtly denying humanness to others has implications for whether they are blamed, praised, or considered worthy of moral concern and rehabilitation. Moreover, we show that distinct human characteristics are linked to specific judgments of moral status. This work demonstrates that everyday judgments of moral status are influenced by perceptions of humanness.

The interplay of culture and self has been one of the most active areas of research in self and identity. It has provided a number of theoretical concepts and research methodologies that have advanced the psychological understanding about self processes. This paper provides a concise review of the field’s underlying assumptions, and points to its contemporary issues and future directions. In particular, we begin by reviewing the work of Triandis Psychological Review, 96, 506–520, (1989) and Markus and Kitayama Psychological Review, 98, 224–253, (1991), point to questions about the content and process surrounding culture and self, and end with a description of a new research program that expands on the current culture and self literature by posing a broader question of the cultural conception of what it means to be human and the interplay between humanness conception and self conception.

The use of the LCAO (Linear Combination of Atomic Orbitals) method for excited states involves products of orbitals that are known to be linearly dependent. We identify a basis in the space of orbital products that is local for orbitals of finite support and with a residual error that vanishes exponentially with its dimension. As an application of our previously reported technique we compute the Kohn--Sham density response function $\chi_{0}$ for a molecule consisting of $N$ atoms in $N^{2}N_{\omega}$ operations, with $N_{\omega}$ the number of frequency points. We test our construction of $\chi_{0}$ by computing molecular spectra directly from the equations of Petersilka--Gossmann--Gross in $N^{2}N_{\omega}$ operations rather than from Casida's equations which takes $N^{3}$ operations. We consider the good agreement with previously calculated molecular spectra as a validation of our construction of $\chi_{0}$. Ongoing work indicates that our method is well suited for the computation of the GW self-energy $\Sigma=\mathrm{i}GW$ and we expect it to be useful in the analysis of exitonic effects in molecules.

The citation impact of a comprehensive sample of articles published in social and personality psychology journals in 1998 was evaluated. Potential predictors of the 10-yr. citation impact of 1,580 articles from 37 journals were investigated, including number of authors, number of references, journal impact factor, author nationality, and article length, using linear regression. The impact factor of the journal in which articles appeared was the primary predictor of the citations that they accrued, accounting for 30% of the total variance. Articles with greater length, more references, and more authors were cited relatively often, although the citation advantage of longer articles was not proportionate to their length. A citation advantage was also enjoyed by authors from the United States of America, Canada, and the United Kingdom. 37% of the variance in the total number of citations was accounted for by the study variables.

The article presents the program and the results of experimental tests of beam samples with metal, basalt fiber reinforced polymer (BFRP) and hybrid (metal and BFRP) reinforcement. The samples were made of standard concrete with quartz sand as the fine aggregate and concrete with fine fraction wastes of a mining and beneficiation complex (MBC) used instead of the sand. Short-run tests of the beams under monotonous static loading until destruction enabled the conclusion that durability of the BFRP reinforced beams increased by 37-44% as compared to the metal reinforced beams. When hybrid reinforcing, reduction of the (BFRP) content did not produce an effect on decrease of durability indices; durability gains compared to the beams reinforced by metal made 38-41%. In the BFRP reinforced beams, due to the absence of plastic deformations in this reinforcement, there were no residual deformations after cessation of loading despite significant damage and deterioration of the concrete. Samples of beams made of concrete on fine fraction wastes of MBC, showed 1-8% higher strengths in comparison with similar beams made of concrete with quartz sand as the fine aggregate.