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

R. B. Gerber; Mark 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, Mark A Ratner

Northwestern University

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

208 Citations (Scopus)

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
Publication status	Published - Dec 1 1979

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Spectroscopy
Condensed Matter Physics
Atomic and Molecular Physics, and Optics
Surfaces and Interfaces

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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

Abstract

ASJC Scopus subject areas

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