Title: One-center-coordinate approach to the investigation of the jahn-teller effect in 2-center vibronic systems with common atoms
Authors: Chibotaru, Liviu # ×
Issue Date: Jul-1992
Publisher: Elsevier
Series Title: Chemical Physics Letters vol:195 issue:2-3 pages:109-114
Abstract: The adiabatic potential of a two-centre vibronic system with common atoms is investigated using one-centre symmetrized nuclear coordinates. In the framework of this approach the energy of the Jahn-Teller stabilization at the extrema points consists of the energies of stabilization of the Jahn-Teller distortions of individual centres and the energy of intercentre correlation of these distortions. This correlation is determined by the intercentre elastic interaction and, implicitly, by the coupling conditions imposed on the one-centre nuclear coordinates as a result of the presence of common atoms in the two-centre systems. Due to intercentre correlation, non-Jahn-Teller distortions of individual centres arise along with Jahn-Teller ones.
ISSN: 0009-2614
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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