The geometry, electronic structure and vibrational spectrum of B_8N_ (12) cluster were studied by using quantum chemical ab initio method, and its stability and properties were discussed.
The B_2C_3 cluster was studied by using quantum chemical ab initio method. Various possible structures, related vibrational spectra and binding energies were calculated.
用量子化学从头计算方法研究了B_2C_3簇各种可能的空间结构,计算了相应的振动光谱和结合能。
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The relations of the vibrational frequency, the ground state energy, and the mean number of phonons of the strong-coupling bound magnetopolaron in a quantum dot with the temperature are derived.