Polarizability of molecular clusters as calculated by a dipole interaction model

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

Research output: Contribution to journalArticle

157 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)4001-4010
Number of pages10
JournalJournal of Chemical Physics
Volume116
Issue number10
DOIs
StatePublished - Mar 8 2002

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molecular clusters
dipoles
interactions
Molecules
molecules
damping
tensors
Tensors
Damping

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Jensen, Lasse ; Åstrand, Per Olof ; Osted, Anders ; Kongsted, Jacob ; Mikkelsen, Kurt V. / Polarizability of molecular clusters as calculated by a dipole interaction model. In: Journal of Chemical Physics. 2002 ; Vol. 116, No. 10. pp. 4001-4010.
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Polarizability of molecular clusters as calculated by a dipole interaction model. / Jensen, Lasse; Åstrand, Per Olof; Osted, Anders; Kongsted, Jacob; Mikkelsen, Kurt V.

In: Journal of Chemical Physics, Vol. 116, No. 10, 08.03.2002, p. 4001-4010.

Research output: Contribution to journalArticle

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