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