Improving the efficiency of the Herman-Kluk propagator by time integration

Y. Elran, K. G. Kay

Research output: Contribution to journalArticlepeer-review

55 Scopus citations

Abstract

A method is presented that reduces the number of trajectories needed to achieve accurate results with the Herman-Kluk method and similar initial value semiclassical propagation techniques that involve integration over phase space. It is shown that a time average over motion may be inserted into these integrals with the result that their numerical convergence is accelerated. This technique is applied to two systems with encouraging results, especially for long-time propagation.

Original languageEnglish
Pages (from-to)3653-3659
Number of pages7
JournalJournal of Chemical Physics
Volume110
Issue number8
DOIs
StatePublished - 22 Feb 1999

Fingerprint

Dive into the research topics of 'Improving the efficiency of the Herman-Kluk propagator by time integration'. Together they form a unique fingerprint.

Cite this