Combined analytical expressions for Coulomb and hybrid integrals with slater type orbitals

Guseinov, I. I.; Ismailov, É. Kh.; Mursalov, T. M.; Imamov, É. M.

doi:10.1007/bf00755553

J Struct Chem

1984

DOI: 10.1007/bf00755553

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Combined analytical expressions for Coulomb and hybrid integrals with slater type orbitals

I. I. Guseinov¹,

É. Kh. Ismailov²,

T. M. Mursalov³

et al.

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2003

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“…As can be seen from our paper [2] that the early work of Guseinov [4] (cited as Ref. 19 in our paper [2]) is cited in constructing our procedure.…”

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confidence: 99%

Unified treatment for the evaluation of arbitrary multielectron multicenter molecular integrals over Slater‐type orbitals with noninteger principal quantum numbers

Özdoğan

2003

Int J of Quantum Chemistry

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ABSTRACT:The expansion formula has been presented for Slater-type orbitals with noninteger principal quantum numbers (noninteger n-STOs), which involves conventional STOs (integer n-STOs) with the same center. By the use of this expansion formula, arbitrary multielectron multicenter molecular integrals over noninteger n-STOs are expressed in terms of counterpart integrals over integer n-STOs with a combined infinite series formula. The convergence of the method is tested for two-center overlap, nuclear attraction, and two-electron one-center integrals, due to the scarcity of the literature, and fair uniform convergence and great numerical stability under wide changes in molecular parameters is achieved.

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“…As can be seen from our paper [2] that the early work of Guseinov [4] (cited as Ref. 19 in our paper [2]) is cited in constructing our procedure.…”

mentioning

confidence: 99%

Unified treatment for the evaluation of arbitrary multielectron multicenter molecular integrals over Slater‐type orbitals with noninteger principal quantum numbers

Özdoğan

2003

Int J of Quantum Chemistry

View full text Add to dashboard Cite

show abstract

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Combined analytical expressions for Coulomb and hybrid integrals with slater type orbitals

Cited by 1 publication

References 6 publications

Unified treatment for the evaluation of arbitrary multielectron multicenter molecular integrals over Slater‐type orbitals with noninteger principal quantum numbers

Unified treatment for the evaluation of arbitrary multielectron multicenter molecular integrals over Slater‐type orbitals with noninteger principal quantum numbers

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