State-Interaction Approach for Evaluating <i>g</i>-Tensors within EOM-CC and RAS-CI Frameworks: Theory and Benchmarks-Reference-Cited by-同舟云学术

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State-Interaction Approach for Evaluating g-Tensors within EOM-CC and RAS-CI Frameworks: Theory and Benchmarks

Published:2023-09-29 Issue:40 Volume:127 Page:8459-8472
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kähler Sven¹^ORCID,Cebreiro-Gallardo Antonio²,Pokhilko Pavel¹^ORCID,Casanova David²³^ORCID,Krylov Anna I.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States

2. Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain

3. IKERBASQUE, Basque Foundation for Science, 48009 Bilbao, Euskadi, Spain

Funder

Division of Chemistry

European Commission

Ministerio de Ciencia e Innovación

Ikerbasque, Basque Foundation for Science

Deutsche Forschungsgemeinschaft

Diputación Foral de Gipuzkoa

Hezkuntza, Hizkuntza Politika Eta Kultura Saila, Eusko Jaurlaritza

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c04134

Reference79 articles.

1. Neese, F. High Resolution EPR: Applications to Metalloenzymes and Metals in Medicine; Berliner, L.; Hanson, G., Eds. Springer New York: New York, 2009; p 175.

2. Structural and Functional Aspects of Metal Sites in Biology

3. Decoherence in crystals of quantum molecular magnets

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