Expansion formulae for two-center charge densities of integer and noninteger n generalized exponential type orbitals with hyperbolic cosine and their use in evaluation of multicenter multielectron integrals

被引:2
|
作者
Guseinov, I. I. [1 ]
机构
[1] Onsekiz Mart Univ, Fac Arts & Sci, Dept Phys, Canakkale, Turkey
关键词
Charge densities; Generalized exponential functions; psi(alpha)-Exponential type orbitals; Multicenter multielectron integrals; SLATER-TYPE ORBITALS;
D O I
10.1007/s10910-010-9711-5
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The expansion formulae are derived for the two-center charge densities of integer and noninteger n generalized exponential type orbitals with hyperbolic cosine (GETOHC) in terms of corresponding charge densities of generalized exponential type orbitals (GETO) presented in our previous paper. The general formulae obtained for the GETOHC charge densities are utilized for the evaluation of multicenter multielectron integrals appearing in the Hartree-Fock-Roothaan (HFR) and explicitly correlated theories when the GETOHC are employed as basis functions.
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页码:812 / 815
页数:4
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