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Explicit Formulae for the Calculation of Molecular Multipole Moments Over Slater Type Orbitals

Ante Graovac ; 'Rudjer Boskovic' Institute, 41001 Zagreb, Yugoslavia
Zvonimir B . Maksić ; 'Rudjer Boskovic' Institute, 41001 Zagreb, Yugoslavia
Josip Mikac ; 'Rudjer Boskovic' Institute, 41001 Zagreb, Yugoslavia


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preuzimanja: 83

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Explicit Formulae for the Calculation of MoleCular Multipole Moments Integrals Over Slater Type Orbitals.
Graovac, A.; Maksic, Z.B.; Mikac, J. (Rudjer Boskovic Inst., Zagreb, Yug.) CCACAA 1977, 49(1) SYUD 77/001, 46 pp.
!Engl.)
A method for the rigorous calculation of the molecular multi pole moments integrals over Slater type atomic orbitals is
presented. It is shown that the multi pole moments integrals are easily reduced to linear combinations of two-centre overlap
tntegrals which can be routinely calculated.
Full paper available: Referral Centre, 41001 Zagreb, P.0.B. 327, Yugoslavia.

Ključne riječi

Hrčak ID:

196433

URI

https://hrcak.srce.hr/196433

Posjeta: 210 *