Abstract

AbstractThe complete orthonormal sets of Ψα‐exponential‐type orbitals (ETOs) (α = 1, 0, −1, −2, …) introduced by the author for expanding Slater‐type orbitals (STOs) enable two‐electron multicenter integrals of arbitrary central and noncentral interaction potentials (CIPs and NCIPs) to be reduced to one‐center two‐electron integrals. These one‐center integrals are advantageously reduced using Fourier convolution methods. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004

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