A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems

R. B. Gerber; M. A. Ratner

doi:10.1016/0009-2614(79)80099-8

A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems

R. B. Gerber^*
, M. A. Ratner

^*Corresponding author for this work

Institute of Chemistry

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

239 Scopus citations

Abstract

The self-consistent-field (SCF) approximation for coupled-vibron systems in the semiclassical limit yields Hartree-type equations, in which only the eigenenergies and turning points are self-consistently evaluated. Calculations yield vibrational energies in excellent agreement with quantum SCF and exact quantum results. Applications and extensions are briefly discussed.

Original language	English
Pages (from-to)	195-198
Number of pages	4
Journal	Chemical Physics Letters
Volume	68
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(79)80099-8
State	Published - 1 Dec 1979

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abstract = "The self-consistent-field (SCF) approximation for coupled-vibron systems in the semiclassical limit yields Hartree-type equations, in which only the eigenenergies and turning points are self-consistently evaluated. Calculations yield vibrational energies in excellent agreement with quantum SCF and exact quantum results. Applications and extensions are briefly discussed.",

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AB - The self-consistent-field (SCF) approximation for coupled-vibron systems in the semiclassical limit yields Hartree-type equations, in which only the eigenenergies and turning points are self-consistently evaluated. Calculations yield vibrational energies in excellent agreement with quantum SCF and exact quantum results. Applications and extensions are briefly discussed.

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A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems

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