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Excited state corrections to looped adiabatic-to-diabatic transformation phases

Authors
Journal
Chemical Physics
0301-0104
Publisher
Elsevier
Publication Date
Volume
351
Identifiers
DOI: 10.1016/j.chemphys.2008.04.010
Keywords
  • Quantum Phases
  • Non-Adiabatic Coupling
  • Phase Integral
  • Renner–Teller Effect

Abstract

Abstract The difference between the full revolution adiabatic-to-diabatic transformation angle, or the loop-integrated nonadiabatic coupling term, and the Berry phase is calculated perturbationally, when one or more excited states are coupled into a ground doublet. The difference is in general non-zero, but has no definite sign. A molecule distorted from a Renner–Teller situation serves as an illustration.

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