Modified Cartesian Gaussian functions and their use in quantum chemistry |
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Authors: | A Golbiewski J Mrozek |
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Institution: | A. Gołlębiewski,J. Mrozek |
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Abstract: | The general formula for the electron-electron repulsion integral in the modified Cartesian Gaussian basis set derived in Ref. 1] is simplified. A general relation between the standard and modified CG functions is given. A possible use of the modified CG functions to quantum chemical calculations which include the correlation factor rij2 is indicated. |
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