论文信息 - Unified analytical treatment of two-electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals

Unified analytical treatment of two-electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals

The 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

I. Guseinov

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