Analytical Evaluation of Multicenter Molecular Integrals. I. Two-Center Overlap and Two-Center Coulombic Integrals over Hydrogenic Orbitals of Integral Principal Quantum Number

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Abstract
A new method for evaluating multicenter molecular integrals is presented. This approach makes use of the group‐theoretic properties of the four‐dimensional spherical harmonics which are related to the Fourier transforms of hydrogenic wavefunctions. The method is applied to the case of two‐center overlap and two‐center Coulombic integrals whose orbitals have integral principal quantum numbers.

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