Long-time and unitary properties of semiclassical initial value representations

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Beitragende

  • Max-Planck-Institute for the Physics of Complex Systems
  • Technische Universität Dresden

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

OriginalspracheEnglisch
Seiten (von - bis)26-30
Seitenumfang5
FachzeitschriftJournal of Chemical Physics
Jahrgang120
Ausgabenummer1
PublikationsstatusVeröffentlicht - 1 Jan. 2004
Peer-Review-StatusJa

Externe IDs

Scopus 0942288578

Schlagworte

Schlagwörter

  • DYNAMICS, APPROXIMATION, STATES, SPACE, ATOM