Dipole Moments and Transition Dipole Moments Calculated by Pair-Density Functional Theory with State Interaction.

Lykhin, Aleksandr O; Baumgarten, Moritz K A; Truhlar, Donald G; Gagliardi, Laura

Lykhin, Aleksandr O; Baumgarten, Moritz K A; Truhlar, Donald G; Gagliardi, Laura.

Afiliación

Lykhin AO; Department of Chemistry, Pritzker School of Molecular Engineering, The James Franck Institute and Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, Illinois 60637, United States.
Baumgarten MKA; Laboratory of Physical Chemistry, ETH Zurich, 8093 Zurich, Switzerland.
Truhlar DG; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States.
Gagliardi L; Department of Chemistry, Pritzker School of Molecular Engineering, The James Franck Institute and Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, Illinois 60637, United States.

J Phys Chem A ; 127(18): 4194-4205, 2023 May 11.

Article en En | MEDLINE | ID: mdl-37130157

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Phys Chem A Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos

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