Atomic Integrals Containing Functions of r 12 and r 13
A method, not requiring infinite series expansions, for the evaluation of atomic integrals of type ∫ ψ1(x1)ψ2(x2)ψ3(x3)u(r12)w(r13)dτis given for the case where the ψi(Xi) are atomic Slater-type functions and the uij(rij) have the general form rijn exp (—arij).
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| Veröffentlicht in: | The Journal of chemical physics 1964-12, Vol.41 (11), p.3484-3487 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | A method, not requiring infinite series expansions, for the evaluation of atomic integrals of type ∫ ψ1(x1)ψ2(x2)ψ3(x3)u(r12)w(r13)dτis given for the case where the ψi(Xi) are atomic Slater-type functions and the uij(rij) have the general form rijn exp (—arij). |
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| ISSN: | 0021-9606 1089-7690 |
| DOI: | 10.1063/1.1725753 |