Quantum dynamical simulations of nonadiabatic processes: Solvation dynamics of the hydrated electron
Journal Article
·
· Physical Review Letters; (United States)
- School of Chemistry, Sackler Faculty of Science, Tel-Aviv University, Tel-Aviv 69978 (Israel)
- School of Physics, Georgia Institute of Technology, Atlanta, Georgia (USA)
A new method for simulating nonadiabatic quantum processes is presented. It is suitable for transitions which are not dominated by near crossing of potential surfaces. The method is applied to the calculation of the radiationless transition rate of the hydrated electron from its lowest excited level to the ground state. The results are consistent with recent experimental indications that this process dominates the solvation dynamics of the electron in water.
- OSTI ID:
- 5236590
- Journal Information:
- Physical Review Letters; (United States), Vol. 67:8; ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- English
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