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中国物理学会期刊

T1uhg Jahn-Teller系统中的频率约化矩阵

CSTR: 32037.14.aps.49.1769

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

CSTR: 32037.14.aps.49.1769
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  • 在研究C60的电声相互作用中,最重要的应是T1u电子态与hg振动模式的偶合,俗称作T1uhg Jahn-Teller(JT)系统.线 性的T1uhg JT系统的势能面上只有势槽的存在,而当非线性耦合 项加入后,势能面将被扭曲成具有D3d或D5d对称性的势阱.在振 动频率的各向同性假设下,势阱中h

     

    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.

     

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