Comparison of Density-Matrix Corrections to Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00625
Reference65 articles.
1. Parr, R. G. Density Functional Theory of Atoms and Molecules; Horizons of Quantum Chemistry; Springer: Dordrecht, 1980, pp 5–15.
2. Electronic Structure Calculations for Solids and Molecules
3. Perspective on density functional theory
4. Improving “difficult” reaction barriers with self-interaction corrected density functional theory
5. Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
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