Further Significance of the Pariser Method for Evaluation of the One-Center Electron Repulsion Integral

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Abstract
There is a difference between the nonempirical and the semiempirical value of the one-center electron repulsion integral, even if correct recognition is made of the atomic species for which the semiempirical value of the integral is determined with consideration of an electron-transfer reaction according to Pariser. This difference has been analyzed for the integral which represents the average interaction of a pair of 2p electrons within an atom. It is shown that the main source of the difference is the failure of the usual nonempirical determination of the integral in considering properly the reorganization of the electrons occuring in the course of the electron-transfer reaction. The correlation energy is shown to have only minor contribution to this difference.