Rigorous quantum dynamics simulations have been performed to test the path-integral centroid formulation proposed by Voth, Chandler and Miller for quanta1 rate constants in a simple class of models for electron transfer reactions in the tight-binding limit. Fully dynamical quantum Monte Carlo simul
โฆ LIBER โฆ
On the dynamical foundations of transition state theory: a semiclassical analysis
โ Scribed by Laurent Bonnet
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 425 KB
- Volume
- 314
- Category
- Article
- ISSN
- 0003-4916
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