Electron density near the nucleus of a large atom

Ole J. Heilmann and Elliott H. Lieb
Phys. Rev. A 52, 3628 – Published 1 November 1995
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Abstract

The density of electrons on a distance scale 1/Z near the nucleus of a large atom with nuclear charge Ze is given (asymptotically as Z→∞) by the sum of the squares of all the hydrogenic bound-state functions (with nuclear charge Ze). This density function, which is an important limiting function in quantum chemistry, is investigated here in detail. Several analytic results are found: In particular, the asymptotic expansion for large r is derived and it is shown that the function falls off as r3/2 for large r; this behavior coincides with the Thomas-Fermi density for small r. ‘‘Shell structure’’ is visible, but barely so.

  • Received 1 May 1995

DOI:https://doi.org/10.1103/PhysRevA.52.3628

©1995 American Physical Society

Authors & Affiliations

Ole J. Heilmann

  • Chemistry Laboratory 3, H.C. Orsted Institute, University of Copenhagen, Universitetsparken 5, DK2100 Copenhagen, Denmark

Elliott H. Lieb

  • Departments of Physics and Mathematics, Princeton University, P.O. Box 708, Princeton, New Jersey 08544-0708

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Vol. 52, Iss. 5 — November 1995

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