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Min, Seung Kyu
Theoretical/Computational Chemistry Group for Excited State Phenomena
Research Interests
  • Excited state dynamics, photosynthesis, solarcell, light-driven molecular machine

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Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?

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Title
Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?
Author
Min, Seung KyuAbedi, AliKim, Kwang S.Gross, E. K. U.
Issue Date
2014-12
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW LETTERS, v.113, no.26, pp.1 - 5
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 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.
URI
https://scholarworks.unist.ac.kr/handle/201301/10470
DOI
10.1103/PhysRevLett.113.263004
ISSN
0031-9007
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PHY_Journal Papers
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