Trajectory-dependent cellularized frozen Gaussians, a new approach for semiclassical dynamics: Theory and application to He-naphtalene eigenvalues

Sybil M. Anderson, Daniel Neuhauser*, Roi Baer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

A method that changes the averaging parameter of the cellularization over time and dimension for each trajectory is presented. In particular, the derivation of the trajectory-dependent cellularized frozen Gaussian (TDCFG) method is shown. Results comparing the usual HK method with improvements from the TDCFG method are discussed.

Original languageAmerican English
Pages (from-to)9103-9108
Number of pages6
JournalJournal of Chemical Physics
Volume118
Issue number20
DOIs
StatePublished - 22 May 2003

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