A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework-Reference-Cited by-同舟云学术

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A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework

Published:2020-03-21 Issue:11 Volume:152 Page:114111
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Saitow Masaaki¹^ORCID,Yanai Takeshi¹²³^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Nagoya University, Furocho, Chikusa Ward, Nagoya, Aichi 464-8601, Japan

2. Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furocho, Chikusa Ward, Nagoya, Aichi 464-8601, Japan

3. Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

Funder

Japan Society for the Promotion of Science

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5142622

Reference150 articles.

1. Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

2. Multireference Nature of Chemistry: The Coupled-Cluster View

3. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

4. Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians

5. A review of canonical transformation theory

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