Calculation of spin–orbit couplings using RASCI spinless one-particle density matrices: Theory and applications-Reference-Cited by-同舟云学术

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Calculation of spin–orbit couplings using RASCI spinless one-particle density matrices: Theory and applications

Published:2020-12-07 Issue:21 Volume:153 Page:214107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Carreras Abel¹^ORCID,Jiang Hanjie²^ORCID,Pokhilko Pavel²³^ORCID,Krylov Anna I.³^ORCID,Zimmerman Paul M.²^ORCID,Casanova David¹^ORCID

Affiliation:

1. Donostia International Physics Center (DIPC), Manuel de Lardizabal Pasalekua 4, 20018 Donostia, Euskadi, Spain

2. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA

3. Department of Chemistry, University of Southern California, Los Angeles, California 90089, USA

Funder

U.S. Department of Energy

Ministerio de Ciencia, Innovación y Universidades

Eusko Jaurlaritza

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/5.0029146

Reference117 articles.

1. Spin-forbidden chemistry within the Breit-Pauli approximation

2. Spin-orbit coupling and intersystem crossing in molecules

3. The quantum theory of the electron

4. Triplet state. Its radiative and nonradiative properties

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