Published July 22, 2004
| Version v1
Journal article
Quantum tunneling dynamics in multidimensional systems: A matching-pursuit description
Creators
- 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
- DOI
- 10.1063/1.1766298;
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.