MOLECULAR DYNAMICS BEYOND THE ADIABATIC APPROXIMATION: NEW EXPERIMENTS AND THEORY.

Robert L. Whetten, Gregory S. Ezra, Edward R. Grant

Research output: Chapter in Book/Report/Conference proceedingChapter

87 Scopus citations

Abstract

Our review of nonadiabatic bound states begins with a discussion of a quantum formalism first developed over 25 years ago. This formalism has recently been remarkably successful in providing a complete quantitative analysis of a molecular vibronic spectrum, as discussed below. However, the intractability of the quantum approach for treating larger systems remains an outstanding problem. Experimental manifestations of bound state nonadiabaticity are reviewed next, with an emphasis on isolated molecules. Two exceptionally promising developments are highlighted, both relating to Rydberg states. Finally, several semiclassical theories of nonadiabatic processes are briefly reviewed, and vibronic dynamics in the vicinity of a conical intersection are explored within the framework of the classical electron model.

Original languageEnglish (US)
Title of host publicationAnnual Review of Physical Chemistry
PublisherAnnual Reviews Inc.
Pages277-320
Number of pages44
Volume36
ISBN (Print)0824310365
StatePublished - 1985
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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