Three-electron coalescence points in two and three dimensions

Pierre-François Loos; Nathaniel J. Bloomfield; Peter M. W. Gill

doi:10.1063/1.4935374

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arXiv · 1510.08221

Three-electron coalescence points in two and three dimensions

Pierre-François Loos·Nathaniel J. Bloomfield·Peter M. W. Gill

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Abstract

The form of the wave function at three-electron coalescence points is examined for several spin states using an alternative method to the usual Fock expansion. We find that, in two- and three-dimensional systems, the non-analytical nature of the wave function is characterized by the appearance of logarithmic terms, reminiscent of those that appear as both electrons approach the nucleus of the helium atom. The explicit form of these singularities is given in terms of the interelectronic distances for a doublet and two quartet states of three electrons in a harmonic well.

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Pierre-François Loos, Nathaniel J. Bloomfield, Peter M. W. Gill. 2015-10-28. Three-electron coalescence points in two and three dimensions. https://doi.org/10.1063/1.4935374

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