slater.f90 File Reference

Provides coefficients for contracted Gaussian type orbitals to approximate Slater type orbitals. More...

Data Types
interface	tblite_basis_slater::slater_to_gauss

Modules
module	tblite_basis_slater
	Implements expansion of Slater functions to contracted Gaussian functions.

Variables
type(enum_sto_expansion), parameter, public	tblite_basis_slater::sto_expansion = enum_sto_expansion()
	Actual enumerator for the sets of STO-NG expansion coefficients.

Detailed Description

Provides coefficients for contracted Gaussian type orbitals to approximate Slater type orbitals.