0385471 - ÚGN 2013 eng C - Conference Paper (international conference)
Janča, T. - Janeček, Ivan
Nonradiative vs. radiative decay of rare gas clusters – detailed test of multiscale scheme.
2011.
[Central European Symposium on Theoretical Chemistry /11./. Mariapfarr (AT), 25.09.2011-28.09.2011]
Institutional support: RVO:68145535
Keywords : molecular dynamics * atomic clusters * chemistry
Subject RIV: CB - Analytical Chemistry, Separation

We present the results of a study focusing on the inclusion of radiative and non-radiative transitions into the fragmentation dynamics of rare gas ionic tetramers. Theoretical study presented here is based on the extension of previously used method - hemiquantal dynamics with inclusion of quantum decoherence, which was used for fragmentation studies of charged clusters of Ar, Kr and Xe. The extension of the original method lies in the inclusion of radiative and recently even slow non-radiative electronic transitions by developed multiscale model.
Permanent Link: http://hdl.handle.net/11104/0214707