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

We demonstrate that the molecular Berry phase and the corresponding nonanalyticity in the electronic Born-Oppenheimer wave function is, in general, not a true topological feature of the exact solution of the full electron-nuclear Schrödinger equation. For a numerically exactly solvable model we show...

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Veröffentlicht in:Physical review letters 2014-12, Vol.113 (26), p.263004-263004, Article 263004
Hauptverfasser: Min, Seung Kyu, Abedi, Ali, Kim, Kwang S, Gross, E K U
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Sprache:eng
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Zusammenfassung:We demonstrate that the molecular Berry phase and the corresponding nonanalyticity in the electronic Born-Oppenheimer wave function is, in general, not a true topological feature of the exact solution of the full electron-nuclear Schrödinger equation. For a numerically exactly solvable model we show that a nonanalyticity, 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.
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.113.263004