Nonadiabatic effects in electronic and nuclear dynamics

Bircher, Martin P. and Liberatore, Elisa and Browning, Nicholas J. and Brickel, Sebastian and Hofmann, Cornelia and Patoz, Aurélien and Unke, Oliver T. and Zimmermann, Tomáš and Chergui, Majed and Hamm, Peter and Keller, Ursula and Meuwly, Markus and Woerner, Hans-Jakob and Vaníček, Jiří and Rothlisberger, Ursula. (2017) Nonadiabatic effects in electronic and nuclear dynamics. Structural Dynamics, 4 (6). 061510.

[img] PDF - Published Version
Available under License CC BY (Attribution).


Official URL: https://edoc.unibas.ch/94230/

Downloads: Statistics Overview


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.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Physikalische Chemie (Meuwly)
UniBasel Contributors:Meuwly, Markus
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:AIP Publishing
Note:Publication type according to Uni Basel Research Database: Journal article
Identification Number:
edoc DOI:
Last Modified:17 Apr 2023 06:54
Deposited On:17 Apr 2023 06:54

Repository Staff Only: item control page