Seniority and Hierarchy Configuration Interaction for Radicals and Excited States
Author:
Affiliation:
1. Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, F-31062 Toulouse, France
Funder
H2020 European Research Council
CALMIP (Toulouse)
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00946
Reference110 articles.
1. Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy
2. ELECTRON PAIRS IN THE BERYLLIUM ATOM1
3. Natural Orbitals and Geminals of the Beryllium Atom
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