Cp. Moate et al., H-CIRCLE-TIMES-H - A JAHN-TELLER COUPLING THAT REALLY DOES REDUCE THEDEGENERACY OF THE GROUND-STATE, Physical review letters, 77(21), 1996, pp. 4362-4365
In all linear Jahn-Teller (JT) systems studied to date, the ground sta
te, after allowing for the vibronic interaction, has always been of th
e same symmetry as the original electronic state. Furthermore, the gro
und state remains the same symmetry for all coupling strengths. We now
report results for the H x h JT system (as occurs in various states o
f the C-60 molecule) when this is not the case. There are two possible
types of JT effects in this system, depending upon whether D-3d or D-
5d extrema are absolute minima. For the case of D-3d minima, we find t
hat for couplings above a certain value the ground state is an A-type
singlet, rather than the expected H-type quintet.