corner
corner

Phys. Rev. A 50, 297–304 (1994)

Validity of the extended electron-electron cusp condition

Download: PDF (362 kB) Buy this article Export: BibTeX or EndNote (RIS)

Kieron Burke, J. C. Angulo, and John P. Perdew
Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

Received 17 March 1994; published in the issue dated July 1994

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.

© 1994 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.50.297
DOI:
10.1103/PhysRevA.50.297
PACS:
31.90.+s, 71.10.+x, 31.20.Sy, 31.10.+z