Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited

Kód výsledku v 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>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CH - Jaderná a kvantová chemie, fotochemie

OECD FORD obor

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Projekt

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Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Physics

ISSN

1089-7690

e-ISSN

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Svazek periodika

138

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

044303-04430312

Kód UT WoS článku

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EID výsledku v databázi Scopus

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