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

• Autores: I.I. Guseinov
• Localización: Revista Mexicana de Física, ISSN-e 0035-001X, Vol. 62, Nº. 2, 2016, págs. 183-187
• Idioma: inglés
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• Resumen

  • Using L^(Pi*)-self-friction polynomials (L^(Pi*)-SFPs), complete orthonormal sets of "psi"^(Pi*)-SF exponential type orbitals ("psi"^(Pi*)-SFETs) 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 "chi"-noninteger Slater type orbitals ("chi"-NISTOs) are established, where pi* = 2l+2-"alfa"* and "alfa"* is SF quantum number. As an application, the one-center atomic nuclear attraction integrals of "chi"-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.