Analytic evaluation of multicenter integrals for gaussian-type orbitals |
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| Authors: | Klaus Brinkmann Heinz Kleindienst |
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| Institution: | (1) Institut für Physikalische Chemie und Elektrochemie, Heinrich-Heine-Universität Düsseldorf, Düsseldorf 1, D-4000, Germany |
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| Abstract: | This work contains the evaluation of multicenter integrals with Cartesian Gaussian functions occurring in ||  ||2 These integrals have to be used if it is necessary to calculate the lower bounds for eigenvalues with the method of the minimization of the variance 1], Considering the varianceF() = ||H||2 - (H!| )2, the integrals from (HY, Y) are well known in contrast to those for ||H ||2. |
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