Počet záznamů: 1
Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited
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SYSNO ASEP 0388544 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited Tvůrce(i) Janeček, Ivan (UGN-S) RID
Janča, T. (CZ)
Naar, P. (CZ)
Kalus, R. (CZ)
Gadéa, F. X. (FR)Celkový počet autorů 5 Zdroj.dok. Journal of Chemical Physics. - : AIP Publishing - ISSN 0021-9606
Roč. 138, č. 4 (2013), s. 1-12Poč.str. 12 s. Forma vydání Online - E Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova atomic clusters ; electromagnetic decays ; electron impact dissociation ; electron impact ionisation ; isomerism ; krypton ; nonradiative transitions ; xenon Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP ED2.1.00/03.0082 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Institucionální podpora UGN-S - RVO:68145535 UT WOS 000314725900020 DOI 10.1063/1.4775804 Anotace 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. Pracoviště Ústav geoniky Kontakt Lucie Gurková, lucie.gurkova@ugn.cas.cz, Tel.: 596 979 354 Rok sběru 2013 Elektronická adresa http://jcp.aip.org/resource/1/jcpsa6/v138/i4/p044303_s1?isAuthorized=no
Počet záznamů: 1