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

RIV/68145535:_____/13:00388544 - isvavai.cz

Nalezeny alternativní kódy

RIV/61989100:27240/13:86084549 RIV/61989100:27740/13:86084549

Výsledek na webu

http://jcp.aip.org/resource/1/jcpsa6/v138/i4/p044303_s1?isAuthorized=no

DOI - Digital Object Identifier

10.1063/1.4775804

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. 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.

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. 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.

Druh

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

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

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

0021-9606

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

1-12

Kód UT WoS článku

000314725900020

EID výsledku v databázi Scopus

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