Published November 1996 | Version v1
Journal article

Convergence and path cancellation in quantum Monte Carlo real time path integration

  • 1. Sandia National Laboratories, Livermore, California 94551 (United States)
  • 2. Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720 (United States)

Description

We find that poor resolution of the tails of the distribution of integrands obtained inhibits convergence in Monte Carlo calculation of real time path integrals. We show that many methods previously tried to improve convergence neither resolve nor diminish the tails effectively. We find that large contributions to the integrand come from paths that have a large variance from the zero-path and/or that have few zero crossings. The results of crude dampings based on where such paths are poorly sampled suggest that exploring cancellations of paths characterized by path variance and zero crossings may be effective in improving convergence. copyright 1996 American Institute of Physics

Additional details

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
105
Journal Issue
17
Journal Page Range
p. 7613-7616.
ISSN
0021-9606
CODEN
JCPSA6

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
28009621
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
CHEMICAL REACTION KINETICS; CORRELATION FUNCTIONS; MONTE CARLO METHOD; REAL TIME SYSTEMS
Descriptors DEC
CALCULATION METHODS; FUNCTIONS; KINETICS; REACTION KINETICS