Long-time and unitary properties of semiclassical initial value representations

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Max-Planck-Institute for the Physics of Complex Systems
  • TUD Dresden University of Technology

Abstract

We numerically compare the semiclassical "frozen Gaussian" Herman-Kluk propagator [Chem. Phys. 91, 27 (1984)] and the "thawed Gaussian" propagator put forward recently by Baranger [J. Phys. A 34, 7227 (2001)] by studying the quantum dynamics in some nonlinear one-dimensional potentials. The reasons for the lack of long-time accuracy and norm conservation in the latter method are uncovered. We amend the thawed Gaussian propagator with a global harmonic approximation for the stability of the trajectories and demonstrate that this revised propagator is a true alternative to the Herman-Kluk propagator with similar accuracy. (C) 2004 American Institute of Physics.

Details

Original languageEnglish
Pages (from-to)26-30
Number of pages5
JournalJournal of Chemical Physics
Volume120
Issue number1
Publication statusPublished - 1 Jan 2004
Peer-reviewedYes

External IDs

Scopus 0942288578

Keywords

Keywords

  • DYNAMICS, APPROXIMATION, STATES, SPACE, ATOM