Global Hybrid Multiconfiguration Pair-Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, United States
2. Department of Chemistry and Biochemistry, Ithaca College, Ithaca, New York 14850, United States
Funder
Division of Chemistry
Army Research Office
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01178
Reference89 articles.
1. Molecular Electronic-Structure Theory
2. Inhomogeneous Electron Gas
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree‐Fock density and its application to the hydrides of the second row atoms
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