Regularized CASPT2: an Intruder-State-Free Approach
Author:
Affiliation:
1. Department of Chemistry─BMC, Uppsala University, P. O. Box 576, SE-75123Uppsala, Sweden
Funder
Vetenskapsr?det
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00368
Reference67 articles.
1. Multireference Approaches for Excited States of Molecules
2. Second‐order perturbation theory with a complete active space self‐consistent field reference function
3. Multireference Møller—Plesset method
4. Canonical Van Vleck Quasidegenerate Perturbation Theory with Trigonometric Variables
5. Development of a size-consistent state-specific multireference perturbation theory with relaxed model-space coefficients
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