The Quantum-mechanical Calculation of One-electron Properties

Two-center moment integrals for SLATER-type atomic orbitals are explicitly expressed in terms of a general formula involving the three quantum numbers and the effective nuclear charge of each of the two orbitals, the internuclear distance, and the usual A and B functions. A corresponding expression for one-center moment integrals is also given. The use of the one- and two-center moment integral formulae in digital computer calculations is discussed.