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

E. Bene, T. Vértesi, R. Englman

Research output: Contribution to journalArticle

1 Citation (Scopus)

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.

Original languageEnglish
Pages (from-to)136-140
Number of pages5
JournalChemical Physics
Volume351
Issue number1-3
DOIs
Publication statusPublished - Jul 3 2008

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Keywords

  • Non-adiabatic coupling
  • Phase integral
  • Quantum phases
  • Renner-Teller effect

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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