lecture-2.pptVIP

* Slater-type orbitals (STOs) Named after the physicist John C. Slater, who introduced them in 1930 n: principal quantum number N: normalization constant r: the distance of the electron from the atomic nucleus ?: a constant related to the effective charge of the nucleus 径向部分: 角度部分: 球谐函数 Atomic orbitals 基 组 Gaussian-type orbitals (GTOs) Gaussian Product Theorem: the product of two GTOs centered on two different atoms is a finite sum of Gaussian centered on a point along the axis connecting them. In this manner, four-center integrals can be reduced to finite sums of two-center integrals, and in