The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Quantum ergodicity and vibrational relaxation in isolated molecules
Abstract
Recent advances in classical ergodic theory have produced qualitative information about the dynamics of anharmonic systems that is relevant to internal molecular dynamics and to unimolecular reaction rate theories. We describe here the results of an attempt to translate this progress into quantum molecular dynamics. Existing theories of quantum ergodicity are found to be ill suited to our task, so an extended concept of quantum ergodicity closely adhering to the well established classical concept is suggested. The new concept has the desired relevance to relaxation processes in isolated molecules, and it allows straightforward numerical investigation of molecular models. We report results for several triatomic models and one model of a linear molecule with four atoms. A prevalence of nonergodic behavior is observed for energies below the minimum required for dissociation.
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Citations
Cites
On the Quantum Correction For Thermodynamic Equilibrium
Wigner, E. (1932) · Physical Review · doi:10.1103/physrev.40.749 · Cited by 9,283
Quantum mechanics as a statistical theory
Moyal, J. E. (1949) · Mathematical Proceedings of the Cambridge Philosophical Society · doi:10.1017/s0305004100000487 · Cited by 3,116
Cited by
Solution of the Schrödinger equation by a spectral method
Feit, M. D., Fleck, J. A., & Steiger, A. (1982) · Journal of Computational Physics · doi:10.1016/0021-9991(82)90091-2 · Cited by 3,368
Distribution of Energy Eigenvalues in the Irregular Spectrum
Pechukas, P. (1983) · Physical Review Letters · doi:10.1103/physrevlett.51.943 · Cited by 406
Metadata
- Authors
- Nordholm, K. S. J., & Rice, S. A.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1974-07-01
- Volume
- 61
- Issue
- 1
- Pages
- 203-223
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2111937885
- Cited by
- 224
- References
- 2
- FWCI
- 23.88
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Quantum ergodicity and vibrational relaxation in isolated molecules. https://app.cochat.ai/papers/10.1063/1.1681624
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- Nordholm, K. S. J., & Rice, S. A. (1974). Quantum ergodicity and vibrational relaxation in isolated molecules. The Journal of Chemical Physics. https://doi.org/10.1063/1.1681624
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