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Author Kendrick, B. K. ♦ Mead, C. A. ♦ Truhlar, D. G.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword PHYSICS ♦ CHEMISTRY ♦ ELECTRONIC STRUCTURE ♦ ENERGY TRANSFER ♦ WAVE FUNCTIONS ♦ POTENTIAL ENERGY
Abstract We show that the new equation for nuclear motion obtained by Baer {ital et al.} is based on an invalid and self-contradictory approximation, and leads to incorrect results for the wave functions, energy levels, degeneracies, and matrix elements. Baer{close_quote}s conclusion about the connection between the Longuet{endash}Higgins (LH) phase and the adiabatic-diabatic transformation (ADT) angle is also shown to be incorrect. Applications of the method by Baer {ital et al.} are shown to contain further errors. {copyright} {ital 1999 American Institute of Physics.}
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 1999-04-01
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 110
Issue Number 15


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