Spin-Flip Pair-Density Functional Theory: A Practical Approach To Treat Static and Dynamical Correlations in Large Molecules
Author:
Affiliation:
1. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States
Funder
U.S. Department of Energy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00121
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5. Second‐order perturbation theory with a complete active space self‐consistent field reference function
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