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Adam J. Proud, Michael P. Walker and Jason K. Pearson The analysis of polarization effects on the interelectronic separations in the atoms and molecules of the G1 test set International Journal of Quantum Chemistry 113

Version of Record online: 17 JUL 2012 | DOI: 10.1002/qua.24282

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In the context of intracule functional theory, intracules are probability densities that describe the relative properties of electron pairs. This article describes the so-called basis antihole through position intracule and electron density studies of the G1 test set of atoms and molecules, and in doing so it defines important connections between intracule functional theory and the electron density.

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