Titel
General Trajectory Surface Hopping Method for Ultrafast Nonadiabatic Dynamics
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Abstract
Nonadiabatic dynamics is a central concept in the study of ultrafast chemical and physical processes, especially light-induced processes. One method to computationally study such processes is provided by the "Surface Hopping including ARbitrary Couplings"(SHARC) approach, which we present here. We focus on a general description of the involved approximations, and the strengths and limitations of the approach. We also discuss the choice of electronic structure method and give an overview over techniques to analyze the trajectories obtained in the simulations.
Objekt-Typ
Sprache
Englisch [eng]
Persistent identifier
https://phaidra.univie.ac.at/o:1049657
Enthalten in
Titel
Attosecond Molecular Dynamics
Herausgeber*in
Marc J J Vrakking
Franck Lepine
Reihe
Titel
Theoretical and Computational Chemistry Series
Band
13
Seitenanfang
348
Seitenende
385
Verlag
Royal Society of Chemistry
Projektnummer
I2883 – Austrian Science Fund (FWF)
Verfügbarkeitsdatum
2021-09-01
Datum der Annahme zur Veröffentlichung
2018-08-31
Zugänglichkeit

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