One-Range Addition Theorems in Terms of -ETOs for STOs and Coulomb-Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices

Details One-Range Addition Theorems in Terms of -ETOs for STOs and Coulomb-Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices One-Range Addition Theorems in Terms of -ETOs for STOs and Coulomb-Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices

2007-06-18

arxiv.org/abs/0706.2537v1

Physics

Chemical Physics

6 pages

Scientific paper

In this study, the one-center expansion formulas in terms of complete orthonormal sets of -exponential type orbitals (-ETOs,) are established for the Slater type orbitals (STOs) and Coulomb-Yukawa like correlated interaction potentials (CIPs) of integer and noninteger indices. These relations are used in obtaining the unsymmetrical and symmetrical one-range addition theorems for STOs and Coulomb-Yukawa like CIPs. The final results are especially useful in the calculations of multicenter multielectron integrals of STOs and CIPs occurring when Hartree-Fock-Roothaan (HFR) and explicitly correlated method are employed.

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