Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F13%3AA13016MO" target="_blank" >RIV/61988987:17310/13:A13016MO - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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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. 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. The novel multiscale model substantiallyimproves theoretical predictions for the xenon tetramer decay and also further improves the good agreement between theory and experiment we reached previously for krypton.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CH - Nuclear and quantum chemistry, photo chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
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
1089-7690
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
044303-04430312
UT code for WoS article
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EID of the result in the Scopus database
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