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• W1980554071 abstract "We present a model study of the nonadiabatic wave packet dynamics in the presence of a conical intersection. The wave packet travels essentially along a symmetric coordinate, modeling a photodissociation process, while it is stationary or makes small amplitude vibrations in the coupling modes. We explore the range of applicability of a treatment based on classical trajectories plus surface hopping, comparing it with a full quantum mechanical one. A mixed procedure, classical for the symmetric coordinate and quantum mechanical for the coupling modes, yields very accurate results and allows for a qualitative interpretation of the dynamics. We find that the dynamical behavior of a multidimensional conical intersection can be characterized in terms of a single coupling coordinate, associated with an effective coupling strength parameter." @default.
• W1980554071 created "2016-06-24" @default.
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• W1980554071 date "1997-05-01" @default.
• W1980554071 modified "2023-09-23" @default.
• W1980554071 title "Wave Packet Dynamics in the Presence of a Conical Intersection" @default.
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• W1980554071 doi "https://doi.org/10.1021/jp963979c" @default.
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