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Frozen Gaussians: A very simple semiclassical approximation

Journal Article · · J. Chem. Phys.; (United States)
DOI:https://doi.org/10.1063/1.442382· OSTI ID:5988221

A new and convenient semiclassical method is proposed. It relies only upon classical trajectories and Gaussian integrals. It seems to work very well for the model molecular vibrational spectra investigated here. It should be applicable to a wide variety of processes and can be variationally improved if necessary.

Research Organization:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
OSTI ID:
5988221
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 75:6; ISSN JCPSA
Country of Publication:
United States
Language:
English