On the Calculation of Some Atomic Integrals Containing Functions of r12, r13, and r23
- 1 October 1963
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 39 (7) , 1864-1871
- https://doi.org/10.1063/1.1734544
Abstract
Different forms of correlated atomic wavefunctions and their implications on the integrals occurring in calculations of variational solution to Schrödinger's equation are briefly discussed. A scheme for computing the integral is described and applied to the case gi(rij) = rijk.
Keywords
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