The DOI matches its Crossref record; 28 of the 28 references it cites were found in a registry or an index.
Semiclassical propagation for multidimensional systems by an initial value method
Abstract
A semiclassical initial value technique for wave function propagation described by Herman and Kluk [Chem. Phys. 91, 27 (1984)] is tested for systems with two degrees of freedom. It is found that chaotic trajectories cause a serious deterioration in the accuracy and convergence of the technique. A simple procedure is developed to alleviate these difficulties, allowing one to propagate wave functions of a moderately chaotic system for relatively long times with good accuracy. This method is also applied to a very strongly chaotic system, the x2y2 or ‘‘quadric oscillator’’ model. The resulting energy spectra, obtained from the autocorrelation function of the wave function, are observed to be in good agreement with the corresponding quantal spectra. In addition, the density of states spectra, computed from the trace of the semiclassical propagator, are found to determine many individual energy levels of this system successfully.
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Cites
Numerical recipes in C: the art of scientific computing
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Chaos in Classical and Quantum Mechanics
Gutzwiller, M. C. (1990) · Interdisciplinary Applied Mathematics · doi:10.1007/978-1-4612-0983-6 · Cited by 3,914
Solution of the Schrödinger equation by a spectral method
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Periodic Orbits and Classical Quantization Conditions
Gutzwiller, M. C. (1971) · Journal of Mathematical Physics · doi:10.1063/1.1665596 · Cited by 1,528
Chemical applications of group theory
Cotton, F. A. (1971) · Cited by 1,072
Semi-Classical Approximation in Quantum Mechanics
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A semiclasical justification for the use of non-spreading wavepackets in dynamics calculations
Herman, M. F., & Kluk, E. (1984) · Chemical Physics · doi:10.1016/0301-0104(84)80039-7 · Cited by 778
Phase-Integral Approximation in Momentum Space and the Bound States of an Atom
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The Correspondence Principle in the Statistical Interpretation of Quantum Mechanics
Van Vleck, J. H. (1928) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.14.2.178 · Cited by 748
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Cited by
Wang, H., Sun, X., & Miller, W. H. (1998) · The Journal of Chemical Physics · doi:10.1063/1.476447 · Cited by 428
Sun, X., Wang, H., & Miller, W. H. (1998) · The Journal of Chemical Physics · doi:10.1063/1.477389 · Cited by 410
Semiclassical Mechanics with Molecular Applications
Child, M. S. (2014) · doi:10.1093/acprof:oso/9780199672981.001.0001 · Cited by 360
Calculating the thermal rate constant with exponential speedup on a quantum computer
Lidar, D. A., & Wang, H. (1999) · Physical Review E · doi:10.1103/physreve.59.2429 · Cited by 115
Metadata
- Authors
- Kay, K. G.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1994-08-01
- Volume
- 101
- Issue
- 3
- Pages
- 2250-2260
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1973620669
- Cited by
- 257
- References
- 28
- FWCI
- 5.79
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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