Spectral and ionization energy shifts in van der Waals clusters

Hye Young Kim, Milton W. Cole

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

A model calculation is presented of the spectral shift (δv) and ionization energy shift (δI) for small van der Waals (vdW) clusters consisting of an aromatic molecule and a rare-gas atom. The change of the vdW dispersion interaction associated with excitation or ionization is included explicitly. This new term is found to play a very important role and improve the previous work on δI by Jortner et al. The results show consistent trends and order of magnitude agreement in comparison with experimental data.

Original languageEnglish (US)
Pages (from-to)6055-6060
Number of pages6
JournalThe Journal of Chemical Physics
Volume90
Issue number11
DOIs
StatePublished - Jan 1 1989

All Science Journal Classification (ASJC) codes

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

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