Multiscale non-adiabatic dynamics with radiative decay, case study on the post-ionization fragmentation of rare-gas tetramers

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F12%3AA13015ZP" target="_blank" >RIV/61988987:17310/12:A13015ZP - isvavai.cz</a>
Alternative codes found
RIV/68145535:_____/12:00377093 RIV/61989100:27740/12:86082199
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Multiscale non-adiabatic dynamics with radiative decay, case study on the post-ionization fragmentation of rare-gas tetramers
Original language description
A novel multiscale method introducing radiative decay in realistic simulations of complex systems involving metastable states is proposed in order to address the competition between non-radiative and radiative processes. Specific implementation of the proposed method is used in a case study of the post-ionization fragmentation of heavier rare-gas tetramers considered for very long times. The present multiscale approach allows to take into account the non-adiabatic dynamics typically in tens of picoseconds as well as radiative decay typically in the microsecond regime. Agreement with experimental findings that mainly monomer ion fragments are produced is found here for the first time for Kr4+and to some extent also for Xe4+.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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