THE REDUCED MATRICES OF VIBRATIONAL FREQUENCIES IN THE T1uhg JAHN-TELLER SYSTEM

Abstract

In the studies of the vibronic coupling in C60 molecules,the most imp ortant coupling model is between the T1u electronic states and the hg vibrational modes which is usually called T1uhg Jahn-Teller(JT) stsyem.In the linear T1uhg JT system ,the adiabatic potential energy surface contains a trough only.However,when quad ratic coupling is considered,the potential energy surface will be warped into we lls of either D3d or D5d symmetry.On the assumption that t he vibrational frequencies are isotropic, all the components of hg mo de are identical.Unfortunately,this is not true.The vibrational hg mo de will be split into defferent modes based on the symmetry of wells due to the vibronic coupling.Using group theory and ?pik-Pryce method,all the reduced matr ices of hg vibrational mode are found in this paper.These matrices ar e very useful in studying the anisotropic effects of the vibronic coupling,espec ially in the anion state of the C60 molecules.