Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods
Author:
Affiliation:
1. Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan
2. Department of Chemistry - BMC, Uppsala University, P.O. Box 576, SE-75123 Uppsala, Sweden
Funder
Vetenskapsrådet
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
Japan Society for the Promotion of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00301
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