S. Obara and A. Saika. General recurrence formulas for molecular integrals over Cartesian Gaussian functions. J. Chem. Phys., 89:1540--1559, 1988. Home/Search Document Not in Database Summary Related Articles |
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On Numerical Approximation of Electrostatic Energy in 3D - Finocchiaro, Pellegrini.. (1998) (Correct)
....choices for the basis expansion of atomic orbitals since the pioneering work of Boys [4] showing that the ERI, as well as other relevant integrals, have an analytic exact solution for such class of functions. These analytic solutions are usually obtained through the evaluation of recursive schemes [5, 6, 7], or through the so called Rys polynomial technique [8, 9, 10] Boerrigter, te Velde and Bearends [11] note that a large number of Gaussian type functions might be needed to tightly approximate one electron orbitals, thus making the rapid growth of the number of integrals to be evaluated a ....
S. Obara and A. Saika. General recurrence formulas for molecular integrals over Cartesian Gaussian functions. J. Chem. Phys., 89:1540--1559, 1988.
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