Conference paper

A Simple Model For the Intermolecular Interactions in Halogene Crystals

D. Kirin ; Ruđer Bošković Institute POB 1016, 41001 Zagreb, Yugoslavia
S. Dukan ; Ruđer Bošković Institute POB 1016, 41001 Zagreb, Yugoslavia

Abstract

A simple effective atom-atom intermolecular potential for
halogene solids (F2, Cl-, Br2 and 12) is proposed. The centers of
inter action of the effective potential (6-exp type) are shifted from'
the atomic sites in order to reduce anisotropy of the intermolecular
distances.
The calculated results of the static properties for fluorine
and chlorine are in good agreement with the experimental
results. The calculated results for bromine and iodine crystals
are less satisfactory.
The limitations of the atom-atom model for description of
the dynamical properties of halogene solids are also briefly
discussed

Keywords

Hrčak ID:

175842

URI

https://hrcak.srce.hr/175842

Publication date:

25.2.1990.

Visits: 514 *