Article ID Journal Published Year Pages File Type
5382071 Chemical Physics Letters 2013 5 Pages PDF
Abstract
► We simulated s → p excitation dynamics of an excess electron in (H2O)n−. ► Ring-polymer molecular dynamics is applied to excess electron dynamics. ► Nuclear quantum effects are playing important roles in the nonadiabatic dynamics.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Application of ring-polymer molecular dynamics to electronically nonadiabatic excess electron dynamics in water clusters: Importance of nuclear quantum effects
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