Applications of the Semiclassical Spectral Method to Nuclear, Atomic, Molecular, and Polymeric Dynamics
โ Scribed by M. L. KOSZYKOWSKI; G. A. PFEFFER; D. W. NOID
- Book ID
- 119860517
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 695 KB
- Volume
- 497
- Category
- Article
- ISSN
- 0890-6564
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๐ SIMILAR VOLUMES
A semiclassical surface-hopping propagator for problems involving nonadiabatic transitions is discussed. The propagator is employed in expressions for the probability of transitions between quantum states of molecules in condensed phases. This approach is implemented for the evaluation of the rate o
Using the optimized effective potential method in conjunction with the semianalytical approximation due to Krieger, Li, and Iafrate, we performed fully selfconsistent exact exchange-only density functional calculations for diatomic molecules with a fully numerical basis-set-free molecular code. The