Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of excited-state absorption spectra.

de Wergifosse, Marc; Grimme, Stefan

de Wergifosse, Marc; Grimme, Stefan.

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de Wergifosse M; Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Beringstr. 4, 53115 Bonn, Germany.
Grimme S; Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Beringstr. 4, 53115 Bonn, Germany.

J Chem Phys ; 150(9): 094112, 2019 Mar 07.

Article em En | MEDLINE | ID: mdl-30849880

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Texto completo: 1 Bases de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Alemanha