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Modified Cartesian Gaussian functions and their use in quantum chemistry
Authors:A Go&#x;l&#x;biewski  J Mrozek
Institution:A. Gołlębiewski,J. Mrozek
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.
Keywords:
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