Numerical study of semiclassical initial value methods for dynamics

Kenneth G. Kay

Research output: Contribution to journalArticlepeer-review

247 Scopus citations


We present numerical tests of five related semiclassical techniques for computing time-dependent wave functions. These methods are based on integral representations for the propagator and do not require searches for special trajectories satisfying double-ended boundary conditions. In many respects, the computational techniques involved resemble those of conventional quasiclassical treatments. Three of these methods result in globally uniform asymptotic approximations to the wave function. One such method, the treatment of Herman and Kluk, is found to be capable of especially high accuracy and rapid convergence.

Original languageEnglish
Pages (from-to)4432-4445
Number of pages14
JournalJournal of Chemical Physics
Issue number6
StatePublished - 1994


Dive into the research topics of 'Numerical study of semiclassical initial value methods for dynamics'. Together they form a unique fingerprint.

Cite this