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research article

Spin Evolution in the Born-Oppenheimer Approximation

Ansermet, J. - Ph.  
•
Maschke, Klaus
•
Reuse, Francois  
December 15, 2022
Israel Journal Of Chemistry

The first part of this article attempts to highlight in chronological order some prominent papers that have direct connexion with the Born-Oppenheimer approximation. This timeline successively points to the role of level crossing, the notions of gauge field and geometrical or Berry phase, early experiments that were accounted for with that concept, and its major role in understanding anomalous transport in solids. The second part analyzes the time evolution of states under the adiabatic approximation when the states are spin degenerate. The geometrical phase thus found entails an electron spin evolution. Then, we examine the case of moleclar dynamics. Starting from the Born-Oppenheimer approximation, we obtain a spin evolution by replacing the classical nuclear positions by their quantum mechanical counterparts in the terms that describe electrostatic interactions between nuclei and electrons.

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Type
research article
DOI
10.1002/ijch.202200092
Web of Science ID

WOS:000898938600001

Author(s)
Ansermet, J. - Ph.  
Maschke, Klaus
Reuse, Francois  
Date Issued

2022-12-15

Publisher

WILEY-V C H VERLAG GMBH

Published in
Israel Journal Of Chemistry
Subjects

Chemistry, Multidisciplinary

•

Chemistry

•

born-oppenheimer approximation

•

geometrical phase

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berry phase

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molecular physics

•

spin-phonon coupling

•

berry-phase

•

conical intersections

•

magnetic-properties

•

motion

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LPMN  
Available on Infoscience
January 2, 2023
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/193506
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