Slater函数双中心库仑积分与混合积分

TWO-CENTER COULOMB AND HYBRID INTEGRALS WITH SLATER-TYPE FUNCTIONS

对Ｓｌａｔｅｒ函数的双中心库仑积分与双中心混合积分进行了推导与计算．通过引入系数矩阵的方法简化了双中心积分的计算．我们对数值计算中的一些问题进行了讨论，并在Ｓｉｅｍｅｎｓ—７５７０计算机上编写、调试并通过了全部计算程序．

Two-center Coulomb and hybrid integrals with Slater-type functions are calculated. Which are simplified with the introduction of coefficient matrix. Some problems in numerical computation are discussed with our newly-written computer program.Which was written and debugged on Siemens-7570℃ computer.