Semiclassical eigenvalues for a non-adiabatic system

J. W. Zwanziger; R. L. Whetten; G. S. Ezra; E. R. Grant

doi:10.1016/0009-2614(85)87022-6

Semiclassical eigenvalues for a non-adiabatic system

J. W. Zwanziger, R. L. Whetten, G. S. Ezra, E. R. Grant

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

6 Scopus citations

Abstract

We have performed a semiclassical quantization of the Meyer-Miller classical analog Hamiltonian for the Jahn-Teller E × e system, in the regime of small linear coupling. The primitive semiclassical energies are in good qualitative and reasonable quantitative agreement with the exact quantum-mechanical solution to this problem. These results demonstrate that such a classical model is able to accurately describe the behavior of non-adiabatic bound state systems, but that uniformization will be necessary to obtain more precise agreement with quantum mechanics.

Original language	English (US)
Pages (from-to)	106-112
Number of pages	7
Journal	Chemical Physics Letters
Volume	120
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(85)87022-6
State	Published - Sep 27 1985
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(85)87022-6

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abstract = "We have performed a semiclassical quantization of the Meyer-Miller classical analog Hamiltonian for the Jahn-Teller E × e system, in the regime of small linear coupling. The primitive semiclassical energies are in good qualitative and reasonable quantitative agreement with the exact quantum-mechanical solution to this problem. These results demonstrate that such a classical model is able to accurately describe the behavior of non-adiabatic bound state systems, but that uniformization will be necessary to obtain more precise agreement with quantum mechanics.",

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AU - Zwanziger, J. W.

AU - Whetten, R. L.

AU - Ezra, G. S.

AU - Grant, E. R.

N1 - Funding Information: Research Fund and to the National Science Founda-

PY - 1985/9/27

Y1 - 1985/9/27

N2 - We have performed a semiclassical quantization of the Meyer-Miller classical analog Hamiltonian for the Jahn-Teller E × e system, in the regime of small linear coupling. The primitive semiclassical energies are in good qualitative and reasonable quantitative agreement with the exact quantum-mechanical solution to this problem. These results demonstrate that such a classical model is able to accurately describe the behavior of non-adiabatic bound state systems, but that uniformization will be necessary to obtain more precise agreement with quantum mechanics.

AB - We have performed a semiclassical quantization of the Meyer-Miller classical analog Hamiltonian for the Jahn-Teller E × e system, in the regime of small linear coupling. The primitive semiclassical energies are in good qualitative and reasonable quantitative agreement with the exact quantum-mechanical solution to this problem. These results demonstrate that such a classical model is able to accurately describe the behavior of non-adiabatic bound state systems, but that uniformization will be necessary to obtain more precise agreement with quantum mechanics.

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Semiclassical eigenvalues for a non-adiabatic system

Abstract

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