Open AccessTHE REDUCED MATRICES OF VIBRATIONAL FREQUENCIES IN THE T1uhg JAHN-TELLER SYSTEM
Author(s) -
Yuan Nai-Rong,
Wu Hong-Yan,
L.J. Zheng,
Q. C. Qiu
Publication year - 2000
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.49.1769
Subject(s) - vibronic coupling , jahn–teller effect , isotropy , molecular vibration , coupling (piping) , anisotropy , physics , adiabatic process , molecule , potential energy surface , atomic physics , molecular physics , ion , materials science , excited state , quantum mechanics , metallurgy
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 T1uhg Jahn-Teller(JT) stsyem.In the linear T1uhg 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.