Calculations of the structure of ArnHF clusters in terms of a DM potential of ArHFстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The potential energy surface of the Ar-HF system is constructed by the diatomics-in-molecules method (DMM) with due regard for neutral and ionic states of the fragments. This newly developed surface is subsequently used in modelling the structure of van der Waals Ar,RF clusters (n=1-12) by the molecular dynamics and Monte Carlo methods. The results for small clusters (n=1-4) closely agree with experiment. The calculated configurations of ArnHF clusters (n=1-12) account for the mechanism of their growth.