Method for semiclassical calculation of grid of eigenvalues

Bobby G. Sumpter; D. W. Noid

doi:10.1016/S0009-2614(86)80035-5

Method for semiclassical calculation of grid of eigenvalues

Bobby G. Sumpter, D. W. Noid

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Abstract

A method utilizing integration along curves on the Poincaré surfaces of section is described for the semiclassical calculation of a grid of eigenvalues. The method is extremely fast and the eigenvalues calculated for anharmonically coupled oscillators are in excellent agreement with the exact quantum eigenvalues. In the example studied only 28 trajectories were used to obtain 42 eigenvalues.

Original language	English
Pages (from-to)	181-184
Number of pages	4
Journal	Chemical Physics Letters
Volume	126
Issue number	2
DOIs	https://doi.org/10.1016/S0009-2614(86)80035-5
State	Published - May 2 1986
Externally published	Yes

Funding

Research sponsored by the U.S. Department of Energy under contract DE-AC05-84OR21400 with Martin Marietta Energy Systems, Inc. Research supported by Army Research Office. Present address: Institute for Defense Analysis, Alexandria, VA 22311. USA.

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10.1016/S0009-2614(86)80035-5

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title = "Method for semiclassical calculation of grid of eigenvalues",

abstract = "A method utilizing integration along curves on the Poincar{\'e} surfaces of section is described for the semiclassical calculation of a grid of eigenvalues. The method is extremely fast and the eigenvalues calculated for anharmonically coupled oscillators are in excellent agreement with the exact quantum eigenvalues. In the example studied only 28 trajectories were used to obtain 42 eigenvalues.",

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AU - Sumpter, Bobby G.

AU - Noid, D. W.

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N2 - A method utilizing integration along curves on the Poincaré surfaces of section is described for the semiclassical calculation of a grid of eigenvalues. The method is extremely fast and the eigenvalues calculated for anharmonically coupled oscillators are in excellent agreement with the exact quantum eigenvalues. In the example studied only 28 trajectories were used to obtain 42 eigenvalues.

AB - A method utilizing integration along curves on the Poincaré surfaces of section is described for the semiclassical calculation of a grid of eigenvalues. The method is extremely fast and the eigenvalues calculated for anharmonically coupled oscillators are in excellent agreement with the exact quantum eigenvalues. In the example studied only 28 trajectories were used to obtain 42 eigenvalues.

UR - https://www.scopus.com/pages/publications/11744261510

U2 - 10.1016/S0009-2614(86)80035-5

DO - 10.1016/S0009-2614(86)80035-5

M3 - Article

AN - SCOPUS:11744261510

SN - 0009-2614

VL - 126

SP - 181

EP - 184

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 2

ER -

Method for semiclassical calculation of grid of eigenvalues

Abstract

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