Selected configuration interaction method using sampled first-order corrections to wave functions
Author:
Affiliation:
1. Institute for Catalysis, Hokkaido University, N21 W10 Kita-ku, Sapporo, Hokkaido 001-0021, Japan
2. JST-CREST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan
Funder
Japan Society for the Promotion of Science (JSPS)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4993214
Reference39 articles.
1. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
2. Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces
3. The generalized active space concept in multiconfigurational self-consistent field methods
4. Studies in Configuration Interaction: The First-Row Diatomic Hydrides
5. Individualized configuration selection in CI calculations with subsequent energy extrapolation
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