Title
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.
Object type
Language
English [eng]
Persistent identifier
https://phaidra.univie.ac.at/o:1049657
Is contained in
Title
Attosecond Molecular Dynamics
Editor
Marc J J Vrakking
Franck Lepine
Series
Title
Theoretical and Computational Chemistry Series
Volume
13
From page
348
To page
385
Publisher
Royal Society of Chemistry
Version type
Date available
2021-09-01
Date accepted
2018-08-31
Access rights

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