First-principles description of intra-chain exciton migration in an oligo(para-phenylene vinylene) chain. I. Generalized Frenkel-Holstein Hamiltonian.

Binder, Robert; Bonfanti, Matteo; Lauvergnat, David; Burghardt, Irene

Binder, Robert; Bonfanti, Matteo; Lauvergnat, David; Burghardt, Irene.

Afiliação

Binder R; Institute for Physical and Theoretical Chemistry, Goethe University, Max-von-Laue-Str. 7, 60438 Frankfurt/Main, Germany.
Bonfanti M; Institute for Physical and Theoretical Chemistry, Goethe University, Max-von-Laue-Str. 7, 60438 Frankfurt/Main, Germany.
Lauvergnat D; Université Paris-Saclay, CNRS, Institut de Chimie Physique, UMR 8000, 91405 Orsay, France.
Burghardt I; Institute for Physical and Theoretical Chemistry, Goethe University, Max-von-Laue-Str. 7, 60438 Frankfurt/Main, Germany.

J Chem Phys ; 152(20): 204119, 2020 May 29.

Article em En | MEDLINE | ID: mdl-32486686

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article