Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?
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- Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?
- Min, Seung Kyu; Abedi, Ali; Kim, Kwang S.; Gross, E. K. U.
- Issue Date
- AMER PHYSICAL SOC
- PHYSICAL REVIEW LETTERS, v.113, no.26, pp.1 - 5
- 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 Schrodinger 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.
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