Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited
Result description
A multiscale approach is proposed to address short-time nonadiabatic dynamics and long-time decay. We show the role of both radiative and non-radiative processes in cluster decay mechanisms on examples of rare-gas cluster fragmentation after electron impact ionization. Nonadiabatic molecular dynamics is used as an efficient tool for theoretical study on femto- and picosecond scales and a multiscale approach based on kinetic rates of radiative as well as non-radiative transitions, both considered as parallel reaction channels, is used for the analysis of the long-time system relaxation spanning times over microseconds to infinity.While the radiative processes are typically slow, the system relaxation through non-radiative electronic transitions connected with electron-nuclear interchange of energy may, on the other hand, significantly vary in kinetic rates according to kinetic couplings between relevant adiabatic states.
Keywords
atomic clusterselectromagnetic decayselectron impact dissociationelectron impact ionisationisomerismkryptonnonradiative transitionsxenon
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/61989100:27240/13:86084549 RIV/61989100:27740/13:86084549
Result on the web
http://jcp.aip.org/resource/1/jcpsa6/v138/i4/p044303_s1?isAuthorized=no
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited
Original language description
A multiscale approach is proposed to address short-time nonadiabatic dynamics and long-time decay. We show the role of both radiative and non-radiative processes in cluster decay mechanisms on examples of rare-gas cluster fragmentation after electron impact ionization. Nonadiabatic molecular dynamics is used as an efficient tool for theoretical study on femto- and picosecond scales and a multiscale approach based on kinetic rates of radiative as well as non-radiative transitions, both considered as parallel reaction channels, is used for the analysis of the long-time system relaxation spanning times over microseconds to infinity.While the radiative processes are typically slow, the system relaxation through non-radiative electronic transitions connected with electron-nuclear interchange of energy may, on the other hand, significantly vary in kinetic rates according to kinetic couplings between relevant adiabatic states.
Czech name
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Czech description
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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
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Volume of the periodical
138
Issue of the periodical within the volume
4
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
1-12
UT code for WoS article
000314725900020
EID of the result in the Scopus database
—
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
CF - Physical chemistry and theoretical chemistry
Year of implementation
2013