Electron density near the nucleus of a large atom

Ole J. Heilmann, Elliott Lieb

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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 r-3/2 for large r; this behavior coincides with the Thomas-Fermi density for small r. "Shell structure" is visible, but barely so.

Original languageEnglish (US)
Pages (from-to)3628-3643
Number of pages16
JournalPhysical Review A
Volume52
Issue number5
DOIs
StatePublished - Jan 1 1995

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

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