Entanglement in the Born-Oppenheimer Approximation.
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DOI: 10.1021/acs.jctc.6b00959
Abstract: The role of electron-nuclear entanglement on the validity of the Born-Oppenheimer (BO) approximation is investigated. Although nonadiabatic couplings generally lead to entanglement and to a failure of the BO approximation, surprisingly the degree of electron-nuclear… read more here.
Keywords: entanglement born; born oppenheimer; approximation; oppenheimer approximation ... See more keywords