Classical trajectory methods for polyatomic molecules
Journal Article
·
· International Journal of Modern Physics B
- Los Alamos National Lab., NM (United States). Theoretical Div.
- Oklahoma State Univ., Stillwater, OK (United States). Dept. of Chemistry
Monte Carlo classical trajectory methods for simulating intramolecular dynamics, including chemical reactions, in large polyatomic molecules are described. Methods for performing calculations corresponding to various kinds of experiments are discussed. Some approaches for formulating potential-energy surfaces are described.
- OSTI ID:
- 477345
- Journal Information:
- International Journal of Modern Physics B, Journal Name: International Journal of Modern Physics B Journal Issue: 9 Vol. 11; ISSN IJPBEV; ISSN 0217-9792
- Country of Publication:
- United States
- Language:
- English
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