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English abstract: The purpose of this thesis is to examine the political potential of emotions within theatre as a medium, in relation to AIDS. AIDS was first discovered in 1981 and was initially perceived to only affect the gay community, which revived the old assumption that queer sex was unethical and unhealthy. For the first four years of the epidemic the Reagan Administration did nothing to actively combat the disease. With the rising death tolls, political indifference and continued criminalization of homosexual activities, a theatre movement was brought forth, with the aim to raise awareness of the crises and address the massive loss of life. This paper will through theories regarding functions of theatrical events and Sarah Ahmed’s affect theory, investigate how emotions becomes political within AIDS plays. Ahmed’s terminology is based on a phenomenological approach to the body and the experienced. By bringing her approach into the context of theatre studies, affect theory can function as a theoretical tool to analyze the emotional communication in arts, where the subjective feelings of the audience towards the play becomes the focal point. Theatre is thus particularly potent as an affective practice, as the audience through their senses can experience the event in embodied ways. This thesis will analyze the musical Falsettos and the play Angels in America by applying Ahmed’s key terms. Through my analysis of the two pieces, it becomes evident that emotions and the corporeal experience is at the center of their communication methods. By using what is categorized as negative affects, the theatrical pieces politize emotions to reflect the artists’ own emotional experiences of the crisis and what it means to be gay in the 80s USA. The pieces thus offer different ways of showcasing emotional communication within arts, while simultaneously conveying the same message which is that emotions are conditioned by the society in which we live in. Concludingly, this thes, The purpose of this thesis is to examine the political potential of emotions within theatre as a medium, in relation to AIDS. AIDS was first discovered in 1981 and was initially perceived to only affect the gay community, which revived the old assumption that queer sex was unethical and unhealthy. For the first four years of the epidemic the Reagan Administration did nothing to actively combat the disease. With the rising death tolls, political indifference and continued criminalization of homosexual activities, a theatre movement was brought forth, with the aim to raise awareness of the crises and address the massive loss of life. This paper will through theories regarding functions of theatrical events and Sarah Ahmed’s affect theory, investigate how emotions becomes political within AIDS plays. Ahmed’s terminology is based on a phenomenological approach to the body and the experienced. By bringing her approach into the context of theatre studies, affect theory can function as a theoretical tool to analyze the emotional communication in arts, where the subjective feelings of the audience towards the play becomes the focal point. Theatre is thus particularly potent as an affective practice, as the audience through their senses can experience the event in embodied ways. This thesis will analyze the musical Falsettos and the play Angels in America by applying Ahmed’s key terms. Through my analysis of the two pieces, it becomes evident that emotions and the corporeal experience is at the center of their communication methods. By using what is categorized as negative affects, the theatrical pieces politize emotions to reflect the artists’ own emotional experiences of the crisis and what it means to be gay in the 80s USA. The pieces thus offer different ways of showcasing emotional communication within arts, while simultaneously conveying the same message which is that emotions are conditioned by the society in which we live in. Concludingly, this thesis arg

English abstract: In this thesis I examine selected photographic material from contemporary, western weddings as cultural performances and what these performances emphasize about the society in which they were created. Through existing theory and practices within the field I formulate a staging analysis, enabling me to focus solely on the staging process and how the mise en scène constitutes a certain experience. I place myself in the long-lived intersection between theatre and anthropology, taking my theoretical standpoint mainly in Victor Turner and Erika Fischer-Lichte, the latter being one of the only writers in this field who does not analyse the staging and mise en scène through the performance experience, but on its’ own. To support the main material I employ a participant observation from the Wedding Fair in Copenhagen in January 2024, an interview with a wedding planner, and discourse analysis to understand the frames of creation set by wedding magazines. My analysis is structured by the five elements of cultural performance which Turner reiterates from Milton Singer. Through the analysis of my fieldwork and photographic material, it becomes apparent that we are dealing with a certain temporality where the liminal phase of the ritual covers the entire cultural performance making the whole performance something in-between. In analysing the mise en scène it becomes clear that it can bring dichotomies to collapse into each other while creating an image around the couple, which causes the performance to work, among other things, as an identity marker. Lastly, I discuss the purpose and function of the cultural performance which I find, most important, is to collapse dichotomies as this is the purpose of the aesthetics of the performative. I include that when viewing this performance as a magic mirror held up against society the performance points to the first central dilemma of the so-called event society – to want to experience something both personal as well a

We present an implementation of a damped response framework for calculating resonant inelastic X-ray scattering (RIXS) at the equation-of-motion coupled-cluster singles and doubles (CCSD) and second-order approximate coupled-cluster singles and doubles (CC2) levels of theory in the open-source program eT. This framework lays the foundation for future extension to higher excitation methods (notably, the coupled-cluster singles and doubles with perturbative triples, CC3) and to multilevel approaches. Our implementation adopts a fully relaxed ground state and different variants of the core–valence separation projection technique to address convergence issues. Illustrative results are compared with those obtained within the frozen-core core–valence separated approach, available in Q-Chem, as well as with experiment. The performance of the CC2 method is evaluated in comparison with that of CCSD. It is found that, while the CC2 method is noticeably inferior to CCSD for X-ray absorption spectra, the quality of the CC2 RIXS spectra is often comparable to that of the CCSD level of theory, when the same valence excited states are probed. Finally, we present preliminary RIXS results for a solvated molecule in aqueous solution.

The time-resolved x-ray absorption spectrum of the BT-1T cation (BT-1T+) is theoretically simulated in order to investigate the charge transfer reaction of the system. We employ both trajectory surface hopping and quantum dynamics to simulate the structural evolution over time and the changes in the state populations. To compute the static x-ray absorption spectra (XAS) of the ground and excited states, we apply both the time-dependent density functional theory and the coupled cluster singles and doubles method. The results obtained are in good agreement between the methods. It is, furthermore, found that the small structural changes that occur during the reaction have little effect on the static XAS. Hence, the tr-XAS can be computed based on the state populations determined from a nuclear dynamics simulation and one set of static XAS calculations, utilizing the ground state optimized geometry. This approach can save considerable computational resources, as the static spectra need not to be calculated for all geometries. As BT-1T is a relatively rigid molecule, the outlined approach should only be considered when investigating non-radiative decay processes in the vicinity of the Franck-Condon point.

Idaho Extension System report PNW763 published in cooperation with Washington State University Extension and Oregon State University Extension Service. Pacific Northwest Extension Publication series.

This Ph.D. thesis explores different theoretical methods to describe chemical processes via X-ray spectroscopy with an emphasis on X-ray absorption spectroscopy (XAS). This includes method development, comparisons of methods, and analysis of experimental data. The thesis reviews the theory for describing electronic structure and nuclear dynamics, and the properties of interest are presented. These rely on a single molecular geometry, which is determined by using a molecular gradient. An efficient implementation of such a gradient has been carried out as part of the presented work at the coupled cluster singles and doubles (CCSD) level of theory for both ground and excited states. Thus, the corresponding equilibrium structures can be determined. Also, the implementation lays the ground work for describing nuclear dynamics at the CCSD level of theory. Nuclear dynamics is here simulated with time-dependent density functional theory (TDDFT) using, e.g., trajectory surface hopping (TSH), where nuclei are treated with classical mechanics. This gives a qualitatively good description of the nuclear dynamics, even for a limited number of trajectories. A TSH calculation is also found to be a good basis for a quantum dynamics simulation. The CCSD method was employed to calculate different static X-ray spectra. It showed an overall good agreement with experiment for, e.g., XAS, X-ray photoelectron spectroscopy and resonant inelastic X-ray scattering. This indicates that the method yields a good description of the studied processes. The CCSD method was, for instance, used to analyse experimental ground state spectra of the heterocycle oxazole. This is a first step towards analyzing future time-resolved XAS (tr-XAS) experiments of the system. In the present study, TDDFT was also employed to calculate XAS spectra. Here, this less computationally expensive method turned out to yield results of similar accuracy to CCSD. This was also noticed in the analysis of experimental tr-XAS da

The photoisomerization reaction of azobenzene in both directions have been investigated with a density functional theory based approach using the surface hopping procedure with forced jumps. While the cis-to-trans isomerization was found to be a stepwise reaction along the CNNC dihedral angle, the trans-to-cis isomerization was observed to be one smooth step. The further unbiased full-dimensional analysis of the cis-to-trans isomerization revealed that, while the CNNC dihedral angle is an important degree of freedom for describing the reaction, it is insufficient for describing all of the dynamics. For a fuller picture two coupled modes must be considered. The trans-to-cis isomerization on the other hand was found to be well described along only the CNNC dihedral angle, and its longer timescale could be ascribed to the slow oscillations of this degree of freedom rather than a potential energy barrier in the excited state. The timescales observed in this study was found to be in good agreement with experiment, and thus this work provides insights into the interpretation of experimental observations. Finally, investigations of the structures of the CIs for both reactive and non-reactive trajectories showed a heavy functional dependency.

This study investigates the performance of two approximations to the popular second order polarization propagator approximation (SOPPA), the doubles-corrected methods RPA(D) and HRPA(D), in calculating carbon-carbon spin-spin coupling constants (SSCCs) in 39 saturated carbocycles, totaling 188 unique coupling constants. RPA(D) scales an order below SOPPA in computational complexity while HRPA(D) differs from SOPPA in the leading coeffcient. These methods may therefore prove benecial in predictions of coupling constants of large molecules. It was found that HRPA(D) performs similarly to SOPPA in terms of accuracy for all coupling constants as well as signicantly improves on RPA(D). With a roughly 55% reduction in computation time from SOPPA to HRPA(D), the latter shows great promise for the calculation of nuclear indirect carbon-carbon SSCCs in saturated carbocycles.