Abstract
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.
Original language | English |
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Article number | 263004 |
Journal | Physical Review Letters |
Volume | 113 |
Issue number | 26 |
DOIs | |
State | Published - 30 Dec 2014 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy