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

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.

Authors:
; ;  [1]
  1. Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)
Publication Date:
OSTI Identifier:
22493204
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 18; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ATOMS; COALESCENCE; DISTANCE; ELECTRONS; HELIUM; SINGULARITY; SPIN; WAVE FUNCTIONS

Citation Formats

Loos, Pierre-François, Bloomfield, Nathaniel J., and Gill, Peter M. W. Communication: Three-electron coalescence points in two and three dimensions. United States: N. p., 2015. Web. doi:10.1063/1.4935374.
Loos, Pierre-François, Bloomfield, Nathaniel J., & Gill, Peter M. W. Communication: Three-electron coalescence points in two and three dimensions. United States. https://doi.org/10.1063/1.4935374
Loos, Pierre-François, Bloomfield, Nathaniel J., and Gill, Peter M. W. 2015. "Communication: Three-electron coalescence points in two and three dimensions". United States. https://doi.org/10.1063/1.4935374.
@article{osti_22493204,
title = {Communication: Three-electron coalescence points in two and three dimensions},
author = {Loos, Pierre-François and Bloomfield, Nathaniel J. and Gill, Peter M. W.},
abstractNote = {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.},
doi = {10.1063/1.4935374},
url = {https://www.osti.gov/biblio/22493204}, journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 18,
volume = 143,
place = {United States},
year = {Sat Nov 14 00:00:00 EST 2015},
month = {Sat Nov 14 00:00:00 EST 2015}
}