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Expression of monocentric repulsion integrals on the basis of s,p,d atomic orbitals

P. Pelik√°n and L. Turi Nagy

Department of Physical Chemistry, Slovak Technical University , 880 37 Bratislava

 

Abstract: Monocentric electron repulsion integrals arising in the s,p,d basis of AO's were expressed in terms of the Slater-Condon parameters Fabk and Gabk and in terms of the radial integrals Rabcdk. The total no. of such integrals in the s,p,d basis is 6561, from which 753 are non-zero.

Full paper in Portable Document Format: 285a594.pdf

 

Chemical Papers 28 (5) 594–598 (1974)

Wednesday, June 19, 2024

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