Density Sensitivity of Empirical Functionals
Author:
Affiliation:
1. Department of Chemistry, Yonsei University, 50 Yonsei-ro Seodaemun-gu, Seoul 03722, Korea
2. Departments of Chemistry and of Physics, University of California, Irvine, California 92697, United States
Funder
Division of Chemistry
National Research Foundation of Korea
Nederlandse Organisatie voor Wetenschappelijk Onderzoek
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c03545
Reference59 articles.
1. Note on Exchange Phenomena in the Thomas Atom
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Density-functional exchange-energy approximation with correct asymptotic behavior
4. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
5. Density‐functional thermochemistry. III. The role of exact exchange
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