Validity of the extended electron-electron cusp condition

Kieron Burke, J. C. Angulo, and John P. Perdew
Phys. Rev. A 50, 297 – Published 1 July 1994
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Abstract

The extended cusp condition asserts that h(u)-a0dh(u)/du≥0, where a0 is the Bohr radius, u is the interelectronic spacing, and h(u) is the angle-averaged pair density in the ground state. We prove that this inequality is obeyed by Hooke’s atom for any value of the spring constant. However, we also show that this condition is violated by the uniform electron gas of high density. We explain the qualitative difference between these two systems by subtracting a long-range contribution from h(u), leaving a short-range contribution which is amenable to a local density approximation. Thus the extended cusp condition is not a universal property of the ground state of inhomogeneous electronic systems.

  • Received 17 March 1994

DOI:https://doi.org/10.1103/PhysRevA.50.297

©1994 American Physical Society

Authors & Affiliations

Kieron Burke, J. C. Angulo, and John P. Perdew

  • Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

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Vol. 50, Iss. 1 — July 1994

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