Polarizability of molecular clusters as calculated by a dipole interaction model

Lasse Jensen; Per Olof Åstrand; Anders Osted; Jacob Kongsted; Kurt V. Mikkelsen

doi:10.1063/1.1433747

Polarizability of molecular clusters as calculated by a dipole interaction model

Lasse Jensen, Per Olof Åstrand, Anders Osted, Jacob Kongsted, Kurt V. Mikkelsen

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Abstract

An approach for modeling the damping contribution in the dipole interaction model is addressed. Contrary to the Thole model, the interaction tensors in this approach remain traceless. Although the model can describe the frequency-dependent molecular polarizability with one parameter for each element describing the frequency dependence, a significant improvement is found by dividing the molecules into aliphatic, aromatic, and molecules containing the element B.

Original language	English (US)
Pages (from-to)	4001-4010
Number of pages	10
Journal	Journal of Chemical Physics
Volume	116
Issue number	10
DOIs	https://doi.org/10.1063/1.1433747
State	Published - Mar 8 2002

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1433747

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abstract = "An approach for modeling the damping contribution in the dipole interaction model is addressed. Contrary to the Thole model, the interaction tensors in this approach remain traceless. Although the model can describe the frequency-dependent molecular polarizability with one parameter for each element describing the frequency dependence, a significant improvement is found by dividing the molecules into aliphatic, aromatic, and molecules containing the element B.",

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AU - Osted, Anders

AU - Kongsted, Jacob

AU - Mikkelsen, Kurt V.

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Polarizability of molecular clusters as calculated by a dipole interaction model

Abstract

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