Unified semiclassical theory for the nonadiabatic transition

ChaoYuan Zhu*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

Unified, semiclassical theory for general two-state nonadiabatic transition is discussed by demonstrating an important quantity that represents a type of nonadiabatic transition, This quantity is essentially defined by the rotation angle which determines transformation between diabatic and. adiabatic representation, and it runs from unity to infinity continuously. The unified semiclassical formula is numerically demonstrated, especially in the high energy range where the transition probability is sensitive to the type of nonadiabatic transition. The present semiclassical theory can be incorporated with the framework of the Tully's fewest-switches trajectory surface hopping method to deal with, nonadiabatic transitions in multi-dimensional systems.

Original languageEnglish
Pages (from-to)777-783
Number of pages7
JournalJournal of the Chinese Chemical Society
Volume50
Issue number3 B
DOIs
StatePublished - 1 Jan 2003

Keywords

  • Crossing
  • Landau-Zener, and Rosen-Zener in nonadiabatic transition
  • Semiclassical
  • Trajectory surface hopping

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