Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.

Mai, Sebastian; Plasser, Felix; Pabst, Mathias; Neese, Frank; Köhn, Andreas; González, Leticia.

Mai S; Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna, Austria.
Plasser F; Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna, Austria.
Pabst M; Institute of Physical Chemistry, University of Mainz, Duesbergweg 10, D-55099 Mainz, Germany.
Neese F; Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany.
Köhn A; Institute of Physical Chemistry, University of Mainz, Duesbergweg 10, D-55099 Mainz, Germany.
González L; Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna, Austria.

J Chem Phys ; 147(18): 184109, 2017 Nov 14.

Article en En | MEDLINE | ID: mdl-29141436

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2017 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2017 Tipo del documento: Article