Semiempirical calculations of singly ionized small and medium-size rare-gas clusters

Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F01%3A00000011" target="_blank" >RIV/61988987:17310/01:00000011 - isvavai.cz</a>
Výsledek na webu
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Jazyk výsledku
angličtina
Název v původním jazyce
Semiempirical calculations of singly ionized small and medium-size rare-gas clusters
Popis výsledku v původním jazyce
The semiempirical diatomics-in-molecule (DIM) methods and the most recent ab initio diatomic curves for argon and xenon dimer cations has been used in theoretical studies of the Rg+n clusters (Rg= Ar and Xe; n=3-20). The main attention has been paid to the stability and structure, intramolecular transitions, and photoabsorption spectra of the argon and xenon clusters cations. As a prologue of the full dynamical studies planned for the future, additional calculations have been performed on dynamics of positive charge hole within the clusters at fixed geometries.
Název v anglickém jazyce
Semiempirical calculations of singly ionized small and medium-size rare-gas clusters
Popis výsledku anglicky
The semiempirical diatomics-in-molecule (DIM) methods and the most recent ab initio diatomic curves for argon and xenon dimer cations has been used in theoretical studies of the Rg+n clusters (Rg= Ar and Xe; n=3-20). The main attention has been paid to the stability and structure, intramolecular transitions, and photoabsorption spectra of the argon and xenon clusters cations. As a prologue of the full dynamical studies planned for the future, additional calculations have been performed on dynamics of positive charge hole within the clusters at fixed geometries.

Rok uplatnění
2001
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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