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This study examines the computational challenges in elucidating intricate chemical systems, particularly through ab-initio methodologies. This work highlights the Divide-Expand-Consolidate (DEC) approach for coupled cluster (CC) theory-a linear-scaling, massively parallel framework-as a viable solution. Detailed scrutiny of the DEC framework reveals its extensive applicability for large chemical systems, yet it also acknowledges inherent limitations. To mitigate these constraints, the cluster perturbation theory is presented as an effective remedy. Attention is then directed towards the CPS (D-3) model, explicitly derived from a CC singles parent and a doubles auxiliary excitation space, for computing excitation energies. The reviewed new algorithms for the CPS (D-3) method efficiently capitalize on multiple nodes and graphical processing units, expediting heavy tensor contractions. As a result, CPS (D-3) emerges as a scalable, rapid, and precise solution for computing molecular properties in large molecular systems, marking it an efficient contender to conventional CC models.

I Introduction It is arguable that dignity was recognised in Clubb v Edwards; Preston v Avery ('Clubb') (1) as a constitutional value. (2) In that decision, dignity received 'a degree [...], In this article I consider the state of play for dignity in Australian constitutional law in the light of Clubb v Edwards; Preston v Avery ('Clubb') and Farm Transparency International Ltd v New South Wales ('Farm Transparency'). In Part II, I explore the meaning of dignity in these decisions. I respond to the concern voiced following Clubb that dignity is an indeterminate, incoherent or empty concept. Together, the judgments in Clubb and Farm Transparency give dignity some content and meaning. Doctrinal analysis of these judgments reveals the emerging meaning of dignity in Australian constitutional law. This article offers this original doctrinal analysis, focusing on the new light that Farm Transparency can cast on the meaning of dignity. This doctrinal analysis suggests that dignity in Australian constitutional law is a multidimensional concept, including dignity as the intrinsic worth of natural persons, and dignity as a thick autonomy interest. In Part III, I address the second concern voiced following Clubb that the quirks of the Australian constitutional law system preclude recognition of the dignity of the speaker, and thus will cause dignity to be relevant only to the limitation of the implied freedom of political communication and not its protection. I address the complexities that apply in the Australian context and argue that none of these completely closes the door on dignity.

We present here a massively parallel implementation of the recently developed CPS(D-3) excitation energy model that is based on cluster perturbation theory. The new algorithm extends the one developed in Baudin et al. [J. Chem. Phys., 150, 134110 (2019)] to leverage multiple nodes and utilize graphical processing units for the acceleration of heavy tensor contractions. Furthermore, we show that the extended algorithm scales efficiently with increasing amounts of computational resources and that the developed code enables CPS(D-3) excitation energy calculations on large molecular systems with a low time-to-solution. More specifically, calculations on systems with over 100 atoms and 1000 basis functions are possible in a few hours of wall clock time. This establishes CPS(D-3) excitation energies as a computationally efficient alternative to those obtained from the coupled-cluster singles and doubles model. [ABSTRACT FROM AUTHOR]

This mixed methods study investigated high school students' evaluations of scientific arguments. Myside bias occurs when individuals evaluate belief-consistent information more favorably than belief-inconsistent information. In the quantitative phase, participants (n = 72 males) rated belief-consistent arguments more favorably than belief-inconsistent arguments; however, they also rated strong arguments more favorably than weak arguments, which indicated they did not evaluate the arguments exclusively on whether they were belief-consistent. In the follow-up qualitative phase, we conducted interviews with purposefully-sampled students who showed either higher or lower levels of myside bias. Results indicated that students in both groups applied normative evaluation criteria to the arguments. However, students who showed little or no myside bias applied the same evaluation criteria to arguments independent of whether they were belief-consistent, whereas students who showed high levels of myside bias applied different evaluation criteria to belief-inconsistent arguments. These findings suggest that procedural and conceptual metacognition may play a role in the extent to which individuals reason independent of their beliefs.

The effect of three-body interactions on the elastic properties of hexagonal close packed solid 4He is investigated using variational path integral (VPI) Monte Carlo simulations. The solid's nonzero elastic constants are calculated, at T=0 K and for a range of molar volumes from 7.88 cm3/mol to 20.78 3/mol, from the bulk modulus and the three pure shear constants C0, C66 and C44. Threebody interactions are accounted for using our recently reported perturbative treatment based on the nonadditive three-body potential of Cencek et al. Previous studies have attempted to account for the effect of three-body interactions on the elastic properties of solid 4He; however, these calculations have treated zero point motions using either the Einstein or Debye approximations, which are insufficient in the molar volume range where solid 4He is characterized as a quantum solid. Our VPI calculations allow for a more accurate treatment of the zero point motions which include atomic correlation. From these calculations, we find that agreement with the experimental bulk modulus is significantly improved when three-body interactions are considered. In addition, three-body interactions result in non-negligible differences in the calculated pure shear constants and nonzero elastic constants, particularly at higher densities, where differences of up to 26.5% are observed when three-body interactions are included. We compare to the available experimental data and find that our results are generally in as good or better agreement with experiment as previous theoretical investigations. [ABSTRACT FROM AUTHOR]

The properties of hexagonal close packed (hcp) solid 4He are dominated by large atomic zero point motions. An accurate description of these motions is therefore necessary in order to accurately calculate the properties of the system, such as the Debye-Waller (DW) factors. A recent neutron scattering experiment reported significant anisotropy in the in-plane and out-of-plane DW factors for hcp solid 4He at low temperatures, where thermal effects are negligible and only zero-point motions are expected to contribute. By contrast, no such anisotropy was observed either in earlier experiments or in path integral Monte Carlo (PIMC) simulations of solid hcp 4He. However, the earlier experiments and the PIMC simulations were both carried out at higher temperatures where thermal effects could be substantial.We seek to understand the cause of this discrepancy through variational quantum Monte Carlo simulations utilizing an accurate pair potential and a modified trial wavefunction which allows for anisotropy. Near the melting density, we find no anisotropy in an ideal hcp 4He crystal. A theoretical equation of state is derived from the calculated energies of the ideal crystal over a range of molar volumes from 7.88 to 21.3 cm3, and is found to be in good qualitative agreement with experimental data. [ABSTRACT FROM AUTHOR]

This study investigated whether perspective-taking reduces belief bias independently of argument strength. Belief bias occurs when individuals evaluate belief-consistent arguments more favourably than belief-inconsistent arguments. Undergraduates (n= 93) read arguments that varied with respect to belief-consistency (i.e., belief-consistent or belief-inconsistent) and strength (i.e., strong or weak) about the topic of climate change. After participants read each argument, those in the perspective-taking condition rated the argument's strength from a perspective of a climate scientist and then from their own perspectives, whereas those in the no perspective-taking condition only rated the arguments from their own perspectives. Perspective-taking eliminated belief bias for weak arguments, but not for strong arguments. Theoretical and practical implications of the results are discussed, and directions for future research are provided. [ABSTRACT FROM PUBLISHER]