Numerical solution of the Hartree-Fock equation in molecular geometries
Author:
Publisher
American Physical Society (APS)
Subject
Atomic and Molecular Physics, and Optics
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.82.052518/fulltext
Reference26 articles.
1. A numerical Hartree-Fock program for diatomic molecules
2. Real-space multigrid solution of electrostatics problems and the Kohn-Sham equations
3. Grid-based numerical Hartree-Fock solutions of polyatomic molecules
4. Numerical solution of Poisson’s equation in polyatomic molecules
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2. Kohn–Sham approach for fast hybrid density functional calculations in real-space numerical grid methods;Computer Physics Communications;2018-09
3. Numerical solution of the Sinanoǧlu equation using a multicentre radial-angular grid;Molecular Physics;2016-06-22
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