Calculation of semiclassical eigenvalues with one arbitrary trajectory

Journal Article · Mon Oct 15 04:00:00 EDT 1984 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.448103· OSTI ID:6407898

Miller, W H

A method is described for determining semiclassical eigenvalues for systems with many degrees of freedom that requires the calculation of only one trajectory per eigenvalue. Furthermore, this trajectory is ''arbitrary'', i.e., one must not carry out an iterative root-search procedure to find it. The method is a derivative of earlier approaches developed by Sorbie and Handy and by De Leon and Heller. It is also shown that within the local linearization approximation used by De Leon and Heller, the Sorbie--Handy method is exact (semiclassically).

• Research Organization: Department of Chemistry, and Materials and Molecular Research Division of the Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720
• OSTI ID: 6407898
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 81:8; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640305* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Theory-- (-1987)
74 ATOMIC AND MOLECULAR PHYSICS
EIGENVALUES
FUNCTIONS
HAMILTONIAN FUNCTION
MECHANICS
QUANTUM MECHANICS
SEMICLASSICAL APPROXIMATION