Unsymmetrical and symmetrical one-range addition theorems for slater type orbitals and Coulomb-Yukawa-like correlated interaction potentials of integer and noninteger indices
[ X ]
Tarih
2008
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
World Scientific Publ Co Pte Ltd
Erişim Hakkı
info:eu-repo/semantics/openAccess
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.
Açıklama
Anahtar Kelimeler
slater type orbitals, correlated interaction potentials, one-range addition theorems, multicenter multielectron integrals
Kaynak
Journal of Theoretical & Computational Chemistry
WoS Q Değeri
Q3
Scopus Q Değeri
N/A
Cilt
7
Sayı
2











