Wave functions and two-electron probability distributions of the Hooke’s-law atom and helium

Darragh P. O’Neill and Peter M. W. Gill
Phys. Rev. A 68, 022505 – Published 21 August 2003
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Abstract

The Hooke’s-law atom (hookium) provides an exactly soluble model for a two-electron atom in which the nuclear-electron Coulombic attraction has been replaced by a harmonic one. Starting from the known exact position-space wave function for the ground state of hookium, we present the momentum-space wave function. We also look at the intracules, two-electron probability distributions, for hookium in position, momentum, and phase space. These are compared with the Hartree-Fock results and the Coulomb holes (the difference between the exact and Hartree-Fock intracules) in position, momentum, and phase space are examined. We then compare these results with analogous results for the ground state of helium using a simple, explicitly correlated wave function.

  • Received 3 April 2003

DOI:https://doi.org/10.1103/PhysRevA.68.022505

©2003 American Physical Society

Authors & Affiliations

Darragh P. O’Neill and Peter M. W. Gill

  • School of Chemistry, University of Nottingham, Nottingham NG7 2RD, United Kingdom

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Vol. 68, Iss. 2 — August 2003

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