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arxiv: 1402.0227 · v1 · pith:HEFAXE3Gnew · submitted 2014-02-02 · 🪐 quant-ph · physics.chem-ph

Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?

classification 🪐 quant-ph physics.chem-ph
keywords phaseberryborn-oppenheimermassmolecularnon-analyticitynuclearappear
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We demonstrate that the molecular Berry phase and the corresponding non-analyticity in the electronic Born-Oppenheimer wavefunction is, in general, not a true topological feature of the exact solution of the full electron-nuclear Schr\"odinger equation. For a numerically exactly solvable model we show that a non-analyticity, and the associated geometric phase, only appear in the limit of infinite nuclear mass, while a perfectly smooth behavior is found for any finite nuclear mass.

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