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Classification of the possible symmetries of the Jahn—Teller syste

P. Pelik√°n and M. Breza

Department of Physical Chemistry, Slovak Technical University, CS-812 37Bratislava


Abstract: On the basis of group-theoretical approach we elaborated the complete classification of possible symmetries of extremal points of potential energy surfaces of Jahn—Teller systems for all symmetry point groups. The method originates from the principle of step-by-step splitting of degenerate irreducible representations of corresponding electron terms due to the lowering of the symmetry of the system. It was shown that the existence of some deformations cannot be the result of the Jahn—Teller effect contrary to the fact that also such an explanation is at present used.

Full paper in Portable Document Format: 392a255.pdf


Chemical Papers 39 (2) 255–270 (1985)

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