Quantum diffusion of H/D on Ni(111)—A partially adiabatic centroid MD study
نویسندگان
چکیده
منابع مشابه
A Diffusion Equation for Quantum Adiabatic Systems
For ergodic adiabatic quantum systems, we study the evolution of energy distribution as the system evolves in time. Starting from the von Neumann equation for the density operator, we obtain the quantum analogue of the Smoluchowski equation on coarse-graining over the energy spectrum. This result brings out the precise notion of quantum diffusion.
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2018
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5004801