Published January 15, 1989 | Version v1
Journal article

Exponential power series expansion for the quantum time evolution operator

  • 1. Department of Chemistry, University of California, and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

Description

The coordinate matrix element of the time evolution operator, exp[-iHt/(h/2π)], is determined by expanding (its exponent) in a power series in t. Recursion relations are obtained for the expansion coefficients which can be analytically evaluated for any number of degrees of freedom. Numerical application to the tunneling matrix element in a double well potential and to the reactive flux correlation function for a barrier potential show this approach to be a dramatic improvement over the standard short time approximation for the propagator. Its use in a Feynman path integral means that fewer ''time slices'' in the matrix product exp[(-i/(h/2π))ΔtH]/sup N/, Δt = t/N, will be required. The first few terms in the present expansion constitute a fully quantum version of the short time propagator recently obtained by us using semiclassical methods [Chem. Phys. Lett. 151, 1 (1988)]

Additional details

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
90
Journal Issue
2
Series
J. Chem. Phys.
Journal Page Range
904-911
ISSN
0021-9606
CODEN
JCPSA

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
20023848
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
FEYNMAN PATH INTEGRAL; MATRIX ELEMENTS; POWER SERIES; QUANTUM MECHANICS; QUANTUM OPERATORS; RECURSION RELATIONS; SERIES EXPANSION
Descriptors DEC
INTEGRALS; MATHEMATICAL OPERATORS; MECHANICS