Localized Gaussian wave packet methods for inelastic collisions involving anharmonic oscillators Journal Article uri icon

Overview

abstract

  • We examine several methods of implementing the time-dependent Gaussian wave packet method of Heller for collinear atom–molecule collisions involving anharmonic vibrators. We show that reasonably accurate results can be obtained with a procedure involving uncoupled frozen Gaussians with phases evaluated along classical trajectories. Although this method is much more accurate than the standard quasiclassical trajectory method, it involves about the same computational effort.

publication date

  • April 1, 1984

has restriction

  • closed

Date in CU Experts

  • February 22, 2014 10:56 AM

Full Author List

  • Skodje RT; Truhlar DG

author count

  • 2

Other Profiles

International Standard Serial Number (ISSN)

  • 0021-9606

Electronic International Standard Serial Number (EISSN)

  • 1089-7690

Additional Document Info

start page

  • 3123

end page

  • 3136

volume

  • 80

issue

  • 7