Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes
نویسندگان
چکیده
منابع مشابه
Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods.
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability of reproducing the spatial splitting of a nuclear wave packet in Ehrenfest-like dynamics. In the context of electronic nonadiabatic processes, these problem...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2015
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.115.073001