Reduction of Hartree–Fock Wavefunctions to Kohn–Sham Effective Potentials Using Multiresolution Analysis
Author:
Affiliation:
1. Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, 10099 Berlin, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01103
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1. Jacob’s ladder of density functional approximations for the exchange-correlation energy
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3. Optimized effective atomic central potential
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5. Construction and application of an accurate local spin-polarized Kohn-Sham potential with integer discontinuity: Exchange-only theory
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