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Elsevier, Chemical Physics Letters, 4-6(461), p. 203-206, 2008

DOI: 10.1016/j.cplett.2008.07.019

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On decomposition of interaction-induced electric properties of HF dimer

This paper is available in a repository.
This paper is available in a repository.

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Abstract

Interaction energy in the linear HF dimer is calculated by means of the variational-perturbational scheme. Interaction-induced electric properties: dipole moment, polarizability and first-order hyperpolarizability are decomposed into the terms of physical meaning as the corresponding derivatives of the interaction energy components. The distance dependence of the particular contributions to the interaction energy as well as to the electric properties is reported.