Applying Generalized Variational Principles to Excited-State-Specific Complete Active Space Self-consistent Field Theory
Author:
Affiliation:
1. Department of Chemistry, University of California, Berkeley, California 94720, United States
2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
Funder
Division of Graduate Education
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.2c00639
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