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research article

Nonadiabatic effects in electronic and nuclear dynamics

Bircher, Martin Peter  
•
Liberatore, Elisa  
•
Browning, Nicholas John  
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2017
Structural Dynamics

Due to their very nature, ultrafast phenomena are often accompanied by the occurrence of nonadiabatic effects. From a theoretical perspective, the treatment of nonadiabatic processes makes it necessary to go beyond the (quasi) static picture provided by the time-independent Schrödinger equation within the Born-Oppenheimer approximation and to find ways to tackle instead the full time-dependent electronic and nuclear quantum problem. In this review, we give an overview of different nonadiabatic processes that manifest themselves in electronic and nuclear dynamics ranging from the nonadiabatic phenomena taking place during tunnel ionization of atoms in strong laser fields to the radiationless relaxation through conical intersections and the nonadiabatic coupling of vibrational modes and discuss the computational approaches that have been developed to describe such phenomena. These methods range from the full solution of the combined nuclear-electronic quantum problem to a hierarchy of semiclassical approaches and even purely classical frameworks. The power of these simulation tools is illustrated by representative applications and the direct confrontation with experimental measurements performed in the National Centre of Competence for Molecular Ultrafast Science and Technology.

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Type
research article
DOI
10.1063/1.4996816
Author(s)
Bircher, Martin Peter  
Liberatore, Elisa  
Browning, Nicholas John  
Brickel, Sebastien
Hofmann, Cornelia
Patoz, Aurelien
Unke, Oliver T.
Zimmermann, Tomas  
Chergui, Majed  
Hamm, Peter
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Date Issued

2017

Published in
Structural Dynamics
Volume

4

Issue

6

Article Number

061510

Subjects

Potential energy surfaces

•

Electron positron scattering

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Schroedinger equations

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Ultrafast phenomena

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCPT  
LCBC  
Available on Infoscience
January 10, 2018
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/143714
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