Abstract
In all linear Jahn-Teller (JT) systems studied to date, the ground state, after allowing for the vibronic interaction, has always been of the same symmetry as the original electronic state. Furthermore, the ground state remains the same symmetry for all coupling strengths. We now report results for the JT system (as occurs in various states of the molecule) where this is not the case. There are two possible types of JT effects in this system, depending upon whether or extrema are absolute minima. For the case of minima, we find that for couplings above a certain value the ground state is an A-type singlet, rather than the expected H-type quintet.
- Received 12 July 1996
DOI:https://doi.org/10.1103/PhysRevLett.77.4362
©1996 American Physical Society