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Theoretical study of femtosecond pump–probe signals of nonstoichiometric alkali halide clusters

  • We present the outline of the ab–initio molecular dynamics method for adiabatic excited states which is suitable to treat the involved excited electronic states simultaneously with the motion of the nuclei. The method allows the simulation of time–resolved pump–probe signals and the analysis of the signals in terms of the underlying nuclear dynamics. Moreover, the timescales of the structural relaxation in excited electronic states vs. intramolecular vibrational relaxation processes can be estimated and the influence of the initial temperature of the cluster can be determined. The method is applied to the analysis of the timescales as well as of the dynamics of localized/delocalized electronic excitations in the Na2F molecule which represents a test example for nonstoichiometric alkali–halides with one excess electron. The aim is to develop a method for the investigation of time–dependent laser induced processes in clusters which is capable to extract the leading physical effects responsible for the controlled excitation dynamicsWe present the outline of the ab–initio molecular dynamics method for adiabatic excited states which is suitable to treat the involved excited electronic states simultaneously with the motion of the nuclei. The method allows the simulation of time–resolved pump–probe signals and the analysis of the signals in terms of the underlying nuclear dynamics. Moreover, the timescales of the structural relaxation in excited electronic states vs. intramolecular vibrational relaxation processes can be estimated and the influence of the initial temperature of the cluster can be determined. The method is applied to the analysis of the timescales as well as of the dynamics of localized/delocalized electronic excitations in the Na2F molecule which represents a test example for nonstoichiometric alkali–halides with one excess electron. The aim is to develop a method for the investigation of time–dependent laser induced processes in clusters which is capable to extract the leading physical effects responsible for the controlled excitation dynamics and for the evolution of the non–equilibrium states.show moreshow less

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Metadaten
Author:Prof. Dr. Michael Hartmann, Jiřı́ Pittner, Huub van Dam, Vlasta Bonačić-Koutecký
URN:urn:nbn:de:0298-opus4-5640
Parent Title (English):The European Physical Journal D
Document Type:Article
Language:English
Date of Publication (online):2014/07/02
Year of first Publication:1999
Publishing Institution:SRH Berlin University of Applied Sciences
Release Date:2014/07/02
Tag:Molecular physics; Optical physics; Physics
Volume:9
Issue:1
First Page:393
Last Page:397
Link author profile:https://www.srh-berlin.de/hochschule/hochschulteam/hartmann-michael/
Peer-reviewed:Keine Angabe - No details
JEL-Classification:Y Miscellaneous Categories
Licence (German):License LogoCreative Commons - Namensnennung-Nicht kommerziell-Keine Bearbeitung
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