The expansion formulas in terms of complete orthonormal sets of Ψα-exponential type orbitals are established for the Slater type orbitals and Coulomb--Yukawa-like correlated interaction potentials of integer and noninteger indices. These relations are used in obtaining their unsymmetrical and symmetrical one-range addition theorems. The final results are especially useful in the calculations of multicentre multielectron integrals occurring when Hartree--Fock--Roothaan and explicitly correlated methods are employed.
The expansion formulas in terms of complete orthonormal sets of Ψα-exponential type orbitals are established for the Slater type orbitals and Coulomb--Yukawa-like correlated interaction potentials of integer and noninteger indices. These relations are used in obtaining their unsymmetrical and symmetrical one-range addition theorems. The final results are especially useful in the calculations of multicentre multielectron integrals occurring when Hartree--Fock--Roothaan and explicitly correlated methods are employed.
(Theory of electronic structure, electronic transitions, and chemical binding)
引用本文:
I. I. Guseinov. One-Range Addition Theorems in Terms of Ψα -ETOs for STOs and Coulomb--Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices[J]. 中国物理快报, 2008, 25(12): 4240-4243.
I. I. Guseinov. One-Range Addition Theorems in Terms of Ψα -ETOs for STOs and Coulomb--Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices. Chin. Phys. Lett., 2008, 25(12): 4240-4243.
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2008, Vol. 25 
