Vibrational self-consistent field approach to anharmonic spectroscopy of molecules in solids: Application to iodine in argon matrix

Z. Bihary; R. B. Gerber; V. A. Apkarian

doi:10.1063/1.1384870

Vibrational self-consistent field approach to anharmonic spectroscopy of molecules in solids: Application to iodine in argon matrix

Z. Bihary^*
, R. B. Gerber
, V. A. Apkarian

^*Corresponding author for this work

Institute of Chemistry

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

38 Scopus citations

Abstract

The vibrational self-consistent field method was extended for calculations of molecular vibrational spectroscopy in a crystalline solid environment. Using the prototype of iodine isolated in an argon matrix, it was demonstrated that the method is a powerful tool for matrix spectroscopy.

Original language	English
Pages (from-to)	2695-2701
Number of pages	7
Journal	Journal of Chemical Physics
Volume	115
Issue number	6
DOIs	https://doi.org/10.1063/1.1384870
State	Published - 8 Aug 2001

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abstract = "The vibrational self-consistent field method was extended for calculations of molecular vibrational spectroscopy in a crystalline solid environment. Using the prototype of iodine isolated in an argon matrix, it was demonstrated that the method is a powerful tool for matrix spectroscopy.",

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Vibrational self-consistent field approach to anharmonic spectroscopy of molecules in solids: Application to iodine in argon matrix

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