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
A strategy to determine the transition state of an electron transfer reaction
โ Scribed by P.P. Schmidt; Lesser Blum
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 437 KB
- Volume
- 140
- Category
- Article
- ISSN
- 0009-2614
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We present a simple example of temporal control of the evolving dynamics in a reactive system -a unimolecular reaction with two channels. Using three femtosecond pulses, a wave packet is prepared, probed, and intercepted in the transition-state region. The femtosecond control pulse intercepts the p