Investigación

 

Use of self-friction polynomials in standard convention and auxiliary functions for construction of One-Range addition theorems for noninteger slater type orbitals

 

I.I. Guseinov

 

Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, Çanakkale, Turkey.

 

Received 3 November 2015;
accepted 10 December 2015

 

Abstract

Using L^(Pi*) -self-friction polynomials (L^(Pi*)-SFPs), complete orthonormal sets of ψ^(Pi*)-SF exponential type orbitals ψ^(Pi*)-SFETOs) in standard convention and Q^q-integer auxiliary functions (Q^q-IAFs) introduced by the author, the combined one- and two-center one-range addition theorems for x-noninteger Slater type orbitals (x-NISTOs) are established, where Pi* = 2l + 2 — α* and α* is SF quantum number. As an application, the one-center atomic nuclear attraction integrals of x-NISTOs and V-noninteger Coulombic potential (V-NICPs) are calculated. The obtained formulas can be useful especially in the electronic structure calculations of atoms, molecules and solids.

Keywords: Addition theorems; standard convention; exponential type orbitals; self-friction quantum number.

PACS: 31.15.-p; 31.10.+z; 31.15.xr; 02.70.-c

 

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