Topic summary

Slater orbital

Slater orbital

Extracted from the Wikipedia article Slater-type orbital.

STO-nG Basis Sets

Due to the shape of the functions, Gaussian-type orbitals are easier to solve. While Slater orbitals are more accurate, they are not widely used in modern computational chemistry techniques. This is because the integrals used to evaluate them are difficult. In particular, multicenter integrals are difficult to be evaluated by Slater orbitals. However, taking the integral of a Gaussian is much easier.