Quantum dynamical simulations of nonadiabatic processes: Solvation dynamics of the hydrated electron

Eyal Neria*, Abraham Nitzan, R. N. Barnett, Uzi Landman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

109 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)1011-1014
Number of pages4
JournalPhysical Review Letters
Volume67
Issue number8
DOIs
StatePublished - 1991

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