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Three‐center Coulomb repulsion integrals with Slater functions

Three‐center Coulomb repulsion integrals with Slater functions

Abstract The translation method for products of two Slater functions is improved and combined with the short–long range separation in order to develop a robust and efficient algorithm for the evaluation of three‐center Coulomb integrals with Slater functions. Several tests are carried out showing that the algorithm reported here yields …