布基球（C60）的量子化学计算

布基球是６０个碳原子组成的球面形笼状分子结构，在催化、超导、新材料诸方面有重要用途。采用李向平教授建立的分子轨道的差分方程法对Ｃ６０的分子轨道、电荷分布、能量分布及键级进行了计算。所得结果具有：能级方程被分解成１０个６次方程，从而使计算简化；得到简单的轨道系数公式；电荷聚集数只与纬度有关。与经度无关等特点。

The Calculation of Quantum Chemistry of Buckyball (C_(60))

The Buckyball (C60) has the structure of a spherical surface having cage shaped Crystal form and made up of 60 carbon atoms. Since C60 has important applications in the technique of catalysis and super-conduction and in the development of new materials, the study of C60 has long attracted attention in the related fields. Yet so far only results of calculation of the energy spectrum of electrons have been given, whereas results concerning the electron orbits, distribution of electric charge and the order of bonds of C60 in quantum chemical calculations were not revealed. In this paper,calculations of orbits, distribution of electric charge and the distribution and order of bonds of C60 are given, using the method of difference quation of orbits estaboleshed by Li Xiangping. The results of calculation have its characteristic properties, vis.: Energy level equation dissolved into 10 equations of degree 6, making the calculation much simpler; Simpler formulas for the coefficients of orbit are obtained; numbers of electric charge in the neighbourhood of a C60 atom is independent of the longitud, depending only on the latitude of the atom.