A Guided Self-Consistent-Field Method for Excited-State Wave Function Optimization: Applications to Ligand-Field Transitions in Transition-Metal Complexes.

Peng, Bo; Van Kuiken, Benjamin E; Ding, Feizhi; Li, Xiaosong

Peng, Bo; Van Kuiken, Benjamin E; Ding, Feizhi; Li, Xiaosong.

Afiliação

Peng B; Department of Chemistry, University of Washington , Seattle, Washington 98195, United States.
Van Kuiken BE; Department of Chemistry, University of Washington , Seattle, Washington 98195, United States.
Ding F; Department of Chemistry, University of Washington , Seattle, Washington 98195, United States.
Li X; Department of Chemistry, University of Washington , Seattle, Washington 98195, United States.

J Chem Theory Comput ; 9(9): 3933-8, 2013 Sep 10.

Article em En | MEDLINE | ID: mdl-26592388

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2013 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2013 Tipo de documento: Article