Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark Study
Author:
Affiliation:
1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
2. Max Planck Institut für Festkörperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00191
Reference87 articles.
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3. Coupled-cluster theory in quantum chemistry
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