TY - JOUR
T1 - Is the molecular berry phase an artifact of the Born-Oppenheimer approximation?
AU - Min, Seung Kyu
AU - Abedi, Ali
AU - Kim, Kwang S.
AU - Gross, E. K.U.
N1 - Publisher Copyright:
© 2014 American Physical Society.
PY - 2014/12/30
Y1 - 2014/12/30
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84937221172&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.113.263004
DO - 10.1103/PhysRevLett.113.263004
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AN - SCOPUS:84937221172
SN - 0031-9007
VL - 113
JO - Physical Review Letters
JF - Physical Review Letters
IS - 26
M1 - 263004
ER -