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arxiv: 1605.06954 · v1 · pith:Q26WLP5Inew · submitted 2016-05-23 · ⚛️ physics.chem-ph

Nuclear motion is classical

classification ⚛️ physics.chem-ph
keywords classicaldynamicsmotionnuclearab-initiobestbringcaution
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The notion from ab-initio molecular dynamics simulations that nuclear motion is best described by classical Newton dynamics instead of the time-dependent Schr{\"o}dinger equation is substantiated. In principle a single experiment should bring clarity. Caution is however necessary, as temperature dependent effects must be eliminated when trying to determine the existence of a zero-point energy.

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