Published July 22, 2004 | Version v1
Journal article

Quantum tunneling dynamics in multidimensional systems: A matching-pursuit description

  • 1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107 (United States)

Description

Rigorous simulations of quantum tunneling dynamics in model systems with up to 20 coupled degrees of freedom are reported. The simulations implement an extension of the recently developed matching-pursuit/split-operator Fourier-transform method to complex-valued coherent-state representations. The resulting method recursively applies the time-evolution operator, as defined by the Trotter expansion to second order accuracy, in dynamically adaptive coherent-state representations generated by an approach that combines the matching-pursuit algorithm with a gradient-based optimization method

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
121
Journal Issue
4
Journal Page Range
p. 1676-1680
ISSN
0021-9606
CODEN
JCPSA6

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
36002383
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
ACCURACY; ALGORITHMS; ANNIHILATION OPERATORS; DEGREES OF FREEDOM; EIGENSTATES; EXPANSION; FOURIER TRANSFORMATION; OPTIMIZATION; SIMULATION; TUNNEL EFFECT
Descriptors DEC
INTEGRAL TRANSFORMATIONS; MATHEMATICAL LOGIC; MATHEMATICAL OPERATORS; QUANTUM OPERATORS; TRANSFORMATIONS

Optional Information

Notes
(c) 2004 American Institute of Physics.