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• W2072470627 abstract "An expression is obtained for the electronic decoherence time of the reduced density electronic matrix in mixed quantum-classical molecular-dynamics simulations. The result is obtained by assuming that decoherence is dominated by the time dependence of the overlap of minimum-uncertainty packets and then maximizing the rate with respect to the parameters of the wave packets. The expression for the decay time involves quantities readily available in non-Born-Oppenheimer molecular-dynamics simulations, and it is shown to have a reasonable form when compared with two other formulas for the decay time that have been previously proposed." @default.
• W2072470627 created "2016-06-24" @default.
• W2072470627 creator A5061717048 @default.
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• W2072470627 date "2005-08-08" @default.
• W2072470627 modified "2023-09-27" @default.
• W2072470627 title "Electronic decoherence time for non-Born-Oppenheimer trajectories" @default.
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• W2072470627 doi "https://doi.org/10.1063/1.1995695" @default.
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