Methods for plotting trajectories for triatomic molecules and visualizing the caustics

Journal Article · Thu Jul 21 00:00:00 EDT 1983 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100238a011· OSTI ID:5560192

Noid, D W ^[1]; Wardlaw, D M; Koszykowski, M L; Marcus, R A

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1. Oak Ridge National Lab., TN

A simple and efficient computational method is introduced for visualizing the structure of three-dimensional classical trajectories. Examples are presented for Hamiltonians with incommensurate frequencies, as well as with 1:1 and 2:1 resonances. Results are also presented for several states of OCS, one of which shows an accidental 4:1 resonance. Implications of this method for path integral quantization and perturbation methods are discussed. 8 figures.

• DOE Contract Number: W-7405-ENG-26
• OSTI ID: 5560192
• Journal Information: J. Phys. Chem.; (United States), Vol. 87:15
• Country of Publication: United States
• Language: English

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