Spectral and ionization energy shifts in van der Waals clusters

Hye Young Kim; Milton W. Cole

doi:10.1063/1.456685

Spectral and ionization energy shifts in van der Waals clusters

Hye Young Kim, Milton W. Cole

Research output: Contribution to journal › Article › peer-review

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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 language	English (US)
Pages (from-to)	6055-6060
Number of pages	6
Journal	The Journal of chemical physics
Volume	90
Issue number	11
DOIs	https://doi.org/10.1063/1.456685
State	Published - 1989

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.456685

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title = "Spectral and ionization energy shifts in van der Waals clusters",

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.",

author = "Kim, {Hye Young} and Cole, {Milton W.}",

year = "1989",

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AU - Kim, Hye Young

AU - Cole, Milton W.

PY - 1989

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AB - 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.

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JF - The Journal of chemical physics

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ER -

Spectral and ionization energy shifts in van der Waals clusters

Abstract

All Science Journal Classification (ASJC) codes

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