The DOI matches its Crossref record; 20 of the 20 references it cites were found in a registry or an index.
Time-dependent self-consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments
Abstract
This paper explores the usefulness of the time-dependent self-consistent field (TDSCF) approximation for treating the dynamics of a reaction coordinate coupled to a bath of harmonic degrees of freedom. The reaction coordinate is a one-dimensional double well potential, typical of a hydrogen atom isomerization process. The standard (i.e., one configuration) TDSCF approximation is found to provide a very poor description of the effect of coupling to the bath on the isomerization rate. A multiconfiguration (MC-TDSCF) treatment is thus developed and found to provide a much improved description.
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Cites
Quantum Mechanics and Path Integrals
(1966) · Students Quarterly Journal · doi:10.1049/sqj.1966.0063 · Cited by 9,537
Note on Exchange Phenomena in the Thomas Atom
Dirac, P. A. M. (1930) · Mathematical Proceedings of the Cambridge Philosophical Society · doi:10.1017/s0305004100016108 · Cited by 3,302
Time-dependent approach to semiclassical dynamics
Heller, E. J. (1975) · The Journal of Chemical Physics · doi:10.1063/1.430620 · Cited by 1,618
Reaction path Hamiltonian for polyatomic molecules
Miller, W. H., Handy, N. C., & Adams, J. E. (1980) · The Journal of Chemical Physics · doi:10.1063/1.438959 · Cited by 1,430
Self-citationChandler, D., & Wolynes, P. G. (1981) · The Journal of Chemical Physics · doi:10.1063/1.441588 · Cited by 1,307
Quantum mechanical rate constants for bimolecular reactions
Miller, W. H., Schwartz, S. D., & Tromp, J. W. (1983) · The Journal of Chemical Physics · doi:10.1063/1.445581 · Cited by 910
Self-citationGerber, R. B., Buch, V., & Ratner, M. A. (1982) · The Journal of Chemical Physics · doi:10.1063/1.444225 · Cited by 420
On distributed Gaussian bases for simple model multidimensional vibrational problems
Hamilton, I. P., & Light, J. C. (1986) · The Journal of Chemical Physics · doi:10.1063/1.450139 · Cited by 407
A multiconfigurational time-dependent hartree-fock approach
Yeager, D. L., & Jørgensen, P. (1979) · Chemical Physics Letters · doi:10.1016/0009-2614(79)80130-x · Cited by 199
On the calculation of time correlation functions in quantum systems: Path integral techniquesa)
Thirumalai, D., & Berne, B. J. (1983) · The Journal of Chemical Physics · doi:10.1063/1.445597 · Cited by 168
Cited by
Manthe, U., Meyer, H.-D., & Cederbaum, L. S. (1992) · The Journal of Chemical Physics · doi:10.1063/1.463007 · Cited by 998
Quantum decoherence in mixed quantum-classical systems: Nonadiabatic processes
Bittner, E. R., & Rossky, P. J. (1995) · The Journal of Chemical Physics · doi:10.1063/1.470177 · Cited by 405
Metadata
- Authors
- Makri, N., & Miller, W. H.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1987-11-15
- Volume
- 87
- Issue
- 10
- Pages
- 5781-5787
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1975532414
- Cited by
- 270
- References
- 20
- FWCI
- 8.14
- Type
- journal article
- Language
- en
- Open access
- closed
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- Makri, N., & Miller, W. H. (1987). Time-dependent self-consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments. The Journal of Chemical Physics. https://doi.org/10.1063/1.453501
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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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