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Title: Communication: Three-electron coalescence points in two and three dimensions

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.
Authors:
; ;  [1]
  1. Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)
Publication Date:
OSTI Identifier:
22493204
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 18; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ATOMS; COALESCENCE; DISTANCE; ELECTRONS; HELIUM; SINGULARITY; SPIN; WAVE FUNCTIONS