Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies
Author:
Affiliation:
1. Université de Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France
2. Laboratoire de Chimie et Physique Quantiques, CNRS, UPS, Université de Toulouse, Toulouse 31062, France
Funder
H2020 European Research Council
R?gion des Pays de la Loire
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01197
Reference198 articles.
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4. Multireference Møller—Plesset method
5. Introduction ofn-electron valence states for multireference perturbation theory
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