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Curvature Dependence of Gravitational-Wave Tests of General Relativity.
Phys Rev Lett
December 2024
Center for Computational Astrophysics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA.
High-energy extensions to general relativity modify the Einstein-Hilbert action with higher-order curvature corrections and theory-specific coupling constants. The order of these corrections imprints a universal curvature dependence on observations while the coupling constant controls the deviation strength. In this Letter, we leverage the theory-independent expectation that modifications to the action of a given order in spacetime curvature (Riemann tensor and contractions) lead to observational deviations that scale with the system length scale to a corresponding power.
View Article and Find Full Text PDFFull-Dimensional Neural Network Potential Energy Surface for the Photodissociation Dynamics of HNCS in the S band.
J Phys Chem A
January 2025
Institute of Modern Physics, Shaanxi Key Laboratory for Theoretical Physics Frontiers, Northwest University, Xi'an, Shaanxi 710127, China.
The full-dimensional potential energy surface (PES) for the photodissociation of HNCS in the S(″) electronic state has been built up by the neural network method based on more than 48,000 points, which were calculated at the multireference configuration interaction level with Davidson correction using the augmented correlation consistent polarized valence triple-ζ basis set. It was found that two minima, namely, and isomers of HNCS, and seven stationary points exist on the S PES for the three dissociation pathways: HNCS(S) → H + NCS/HNC + S(D)/HN(Δ) + CS(Σ). The dissociation energies of two lowest product channels H + NCS and HNC + S(D) calculated on the PES are in good agreement with experimental results, validating the high accuracy of the PES.
View Article and Find Full Text PDFCorrection: The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study.
Dalton Trans
January 2025
Institute of Inorganic Chemistry, RWTH Aachen University, Aachen, Germany.
Correction for 'The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study' by W. W. Lukens , , 2016, , 11508-11521, https://doi.
View Article and Find Full Text PDFDescription of changes in chemical bonding along the pathways of chemical reactions by deformation of the molecular electrostatic potential.
J Mol Model
January 2025
Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387, Krakow, Poland.
Context: The analysis of the changes in the electronic structure along intrinsic reaction coordinate (IRC) paths for model reactions: (i) ethylene + butadiene cycloaddition, (ii) prototype SN2 reaction Cl + CH3Cl, (iii) HCN/CNH isomerization assisted by water, (iv) CO + HF → C(O)HF was performed, in terms of changes in the deformation density (Δr) and the deformation of MEP (ΔMEP). The main goal was to further examine the utility of the ΔMEP as a descriptor of chemical bonding, and to compare the pictures resulting from Δr and ΔMEP. Both approaches clearly show that the main changes in the electronic structure occur in the TS region.
View Article and Find Full Text PDFDFedGFM: Pursuing global consistency for Decentralized Federated Learning via global flatness and global momentum.
Neural Netw
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The School of Cyber Science and Technology, Shenzhen Campus of Sun Yat-sen University, Shenzhen, 518107, China. Electronic address:
To tackle high communication costs and privacy issues in Centralized Federated Learning (CFL), Decentralized Federated Learning (DFL) is an alternative. However, a significant discrepancy exists between local updates and the expected global update, known as client drift, which arises from inconsistency and heterogeneous data. Previous research in the DFL field has focused on local information during client updates, without considering global information, which fails to alleviate the client drift issue.
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