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 | |
| Publication status | Published - Dec 1 1979 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
Cite this
A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems. / Gerber, R. B.; Ratner, Mark A.
In: Chemical Physics Letters, Vol. 68, No. 1, 01.12.1979, p. 195-198.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems
AU - Gerber, R. B.
AU - Ratner, Mark A
PY - 1979/12/1
Y1 - 1979/12/1
N2 - 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.
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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U2 - 10.1016/0009-2614(79)80099-8
DO - 10.1016/0009-2614(79)80099-8
M3 - Article
AN - SCOPUS:0000629786
VL - 68
SP - 195
EP - 198
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1
ER -