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Annales Henri Poincaré

, Volume 2, Issue 1, pp 77–100 | Cite as

Electron Wavefunctions and Densities for Atoms

  • Maria Hoffmann-Ostenhof
  • Thomas Hoffmann-Ostenhof
  • Thomas Østergaard Sørensen

Abstract.

With a special 'Ansatz' we analyse the regularity properties of atomic electron wavefunctions and electron densities. In particular we prove an a priori estimate, \( sup_{y \in B(x, R)} \mid \nabla \psi (y) \mid \leq C(R) sup_{y \in B(x, 2R)} \mid \psi (y) \mid \) and obtain for the spherically averaged electron density, \( \tilde{\rho}(r) \), that \( \tilde{\rho}''(0) \) exists and is non-negative.

Keywords

Regularity Property Atomic Electron Electron Wavefunctions Average Electron Density 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Birkhäuser Verlag Basel, 2001

Authors and Affiliations

  • Maria Hoffmann-Ostenhof
    • 1
  • Thomas Hoffmann-Ostenhof
    • 2
  • Thomas Østergaard Sørensen
    • 3
  1. 1.Institut für Mathematik, Strudlhofgasse 4, Universität Wien, A-1090 Wien, Austria, e-mail: mhoffman@esi.ac.atAT
  2. 2.Institut für Theoretische chemie, Währingerstrasse 17, Universität Wien, A-1090 Wien, Austria, e-mail: thoffman@esi.ac.atAT
  3. 3.The Erwin Schrödinger International, Institute for Mathematical Physics, Boltzmanngasse 9, A-1090 Wien, Austria, e-mail: tsorense@esi.ac.atAT

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