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arxiv: 1402.1133 · v1 · pith:5BK2EH3Wnew · submitted 2014-02-05 · ⚛️ physics.chem-ph

On the Classical Description of Nuclear Motion

classification ⚛️ physics.chem-ph
keywords classicaldescriptionalternativeapproachapproximationbasisborn-oppenheimermechanical
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Severe methodological and numerical problems of the traditional quantum mechanical approach to the description of molecular systems are outlined. To overcome these, a simple alternative to the Born-Oppenheimer approximation is presented on the basis of taking the nuclei as classical particles.

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