Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective
Author:
Affiliation:
1. Department of Chemistry, University of Washington, Seattle, Washington, 98195 United States
2. AxiomQuant Investment Management LLC, Shanghai, 200120 China
3. Dirac Solutions, Portland, Oregon, 97229 United States
Funder
Basic Energy Sciences
Office of Advanced Cyberinfrastructure
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01012
Reference42 articles.
1. Relativistic self-consistent fields
2. Breit Interaction in Multielectron Atoms
3. Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations 2 ≤ Z ≤ 106
4. Self-consistent treatment of the Breit interaction, with application to the electric dipole moment in thallium
5. Open-shell relativistic coupled-cluster method with Dirac-Fock-Breit wave functions: Energies of the gold atom and its cation
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