Conditions for the equivalence of the "surface hopping" and complex-valued time methods to affect nonadiabatic transitions

J. R. Stine, James Muckerman

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

In this paper we examine two semiclassical theories used to describe collision induced electronic transitions, namely the surface hopping method of Tully and Preston and the "exact" semiclassical method of Miller and George, and give conditions such that the two methods are equivalent. An example using a DIM potential energy for H+ 3 is discussed.

Original languageEnglish
Pages (from-to)46-49
Number of pages4
JournalChemical Physics Letters
Volume44
Issue number1
DOIs
Publication statusPublished - Nov 15 1976

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Potential energy
equivalence
potential energy
collisions
electronics

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Conditions for the equivalence of the "surface hopping" and complex-valued time methods to affect nonadiabatic transitions. / Stine, J. R.; Muckerman, James.

In: Chemical Physics Letters, Vol. 44, No. 1, 15.11.1976, p. 46-49.

Research output: Contribution to journalArticle

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