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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 53, 1984 - Issue 1
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Original Articles

Collision-induced light scattering by globular molecules

Applequist's atom dipole interaction model and its implementation in computer simulations

Pages 187-202 | Received 22 Mar 1984, Accepted 08 May 1984, Published online: 23 Aug 2006
 

Abstract

Applequist's atom dipole interaction model for the polarizability of polyatomic molecules is reexamined with a special view to computer simulations of collision-induced light scattering. For tetrahedral and octahedral molecules it is shown that, as far as the pair polarizability is concerned, this model is equivalent to a first-order DID mechanism between the individual atoms of the system, to which decoupled effective bond polarizabilities are assigned. In this form the Applequist model, which may be more appropriate than the multipole polarizability model for representing high-density systems, is then very suitable for computer simulations.

Explicit expressions are given for the multipole polarizabilities of the Applequist model as well as for the effective bond polarizabilities of the equivalent atom-atom model.

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