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

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

Künye