Monte Carlo path integration for the real time propagator

Journal Article · Mon Aug 15 04:00:00 EDT 1988 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.455061· OSTI ID:7185254

Makri, N; Miller, W H

Monte Carlo methods are described for evaluating the Feynman path integral representation of the (real time) propagator (time evolution operator), exp(-iHt/(h/2..pi..)). The approach is based on the modified Filinov algorithm presented earlier by Makri and Miller (Chem. Phys. Lett. 139, 10 (1987)). Numerical calculations are presented for time evolution in a symmetric double well potential, as well as in a Morse potential.

• Research Organization: Department of Chemistry, University of California, and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
• OSTI ID: 7185254
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 89:4; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

657002* -- Theoretical & Mathematical Physics-- Classical & Quantum Mechanics
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ALGORITHMS
COMPUTERIZED SIMULATION
FEYNMAN PATH INTEGRAL
INTEGRALS
MATHEMATICAL LOGIC
MATHEMATICS
MECHANICS
MONTE CARLO METHOD
MORSE POTENTIAL
NUMERICAL ANALYSIS
POTENTIALS
QUANTUM MECHANICS
SIMULATION