How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigm.

Carof, Antoine; Giannini, Samuele; Blumberger, Jochen

Carof, Antoine; Giannini, Samuele; Blumberger, Jochen.

Afiliação

Carof A; Department of Physics and Astronomy, University College London, London WC1E 6BT, UK. j.blumberger@ucl.ac.uk antoine.carof@gmail.com.
Giannini S; Department of Physics and Astronomy, University College London, London WC1E 6BT, UK. j.blumberger@ucl.ac.uk antoine.carof@gmail.com.
Blumberger J; Department of Physics and Astronomy, University College London, London WC1E 6BT, UK. j.blumberger@ucl.ac.uk antoine.carof@gmail.com and Institute for Advanced Study, Technische Universität München, Lichtenbergstrasse 2 a, D-85748 Garching, Germany.

Phys Chem Chem Phys ; 21(48): 26368-26386, 2019 Dec 11.

Article em En | MEDLINE | ID: mdl-31793569

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2019 Tipo de documento: Article

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