Article ID Journal Published Year Pages File Type
5383215 Chemical Physics Letters 2012 7 Pages PDF
Abstract
► Exact electron dynamics of two-electron charge transfer reactions is calculated. ► We explicitly compare the electron dynamics of the exact, TDH and Ehrenfest methods. ► The TDH and Ehrenfest methods can reproduce two-electron charge transfer reactions.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Real-time electron dynamics simulation of two-electron transfer reactions induced by nuclear motion
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