Correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations

Minhaeng Cho

doi:10.1063/1.1536979

Correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations

Minhaeng Cho

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

65 Citations (Scopus)

Abstract

The perturbation theory was applied to study the distortions of the electronic and molecular structures of a polarizable molecule. The coupled differential equations for the vibrational wave functions were obtained with the help of adiabatic approximations. The effects of electrostatic potential on vibrational properties were discussed. The relationship between the vibrational frequency shift and molecular structural distortion was also discussed.

Original language	English
Pages (from-to)	3480-3490
Number of pages	11
Journal	Journal of Chemical Physics
Volume	118
Issue number	8
DOIs	https://doi.org/10.1063/1.1536979
Publication status	Published - 2003 Feb 22

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1536979

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abstract = "The perturbation theory was applied to study the distortions of the electronic and molecular structures of a polarizable molecule. The coupled differential equations for the vibrational wave functions were obtained with the help of adiabatic approximations. The effects of electrostatic potential on vibrational properties were discussed. The relationship between the vibrational frequency shift and molecular structural distortion was also discussed.",

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AB - The perturbation theory was applied to study the distortions of the electronic and molecular structures of a polarizable molecule. The coupled differential equations for the vibrational wave functions were obtained with the help of adiabatic approximations. The effects of electrostatic potential on vibrational properties were discussed. The relationship between the vibrational frequency shift and molecular structural distortion was also discussed.

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Correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations

Abstract

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