Unsymmetrical and symmetrical one-range addition theorems for slater type orbitals and Coulomb-Yukawa-like correlated interaction potentials of integer and noninteger indices

---

Atıf İçin Kopyala

Guseinov I. I.

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, cilt.7, sa.2, ss.257-262, 2008 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 7 Sayı: 2
• Basım Tarihi: 2008
• Doi Numarası: 10.1142/s0219633608003691
• Dergi Adı: JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.257-262
• Çanakkale Onsekiz Mart Üniversitesi Adresli: Hayır

Özet

Using one-center expansion relations for the Slater type orbitals (STOs) of noninteger principal quantum numbers in terms of integer nSTOs derived in this study with the help of psi(a)-exponential type orbitals (psi(a)-ETOs, a = 1, 0,-1,-2, . . .), the general formulas through the integer nSTOs are established for the unsymmetrical and symmetrical one-range addition theorems for STOs and Coulomb-Yukawa-like correlated interaction potentials (CIPs) with integer and noninteger indices. The final results are especially useful for the computations of arbitrary multicenter multielectron integrals that arise in the Hartree-Fock-Roothaan (HFR) approximation and also in the correlated methods based upon the use of STOs as basis functions.