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Unified analytical treatment of two‐electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals
Author(s) -
Guseinov I. I.
Publication year - 2004
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.20225
Subject(s) - orthonormal basis , atomic orbital , slater integrals , slater type orbital , physics , electron , fourier transform , quantum mechanics , mathematical physics , atomic physics , molecular orbital theory
The complete orthonormal sets of Ψ α ‐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