以HGTF为基函数的单电子算符积分

ONE-ELECTRON INTEGRALS OVER THE HGTF BASIS

使用HGTF作为基函数,导出了单电子电场积分,单电子电场梯度积分等单电子算符积分的解析表示式。

In this work ,one-electron electric field integrals and one-electron electric field gradient integrals have been given using Hermite-Gaussian type function basis.