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Electron Wavefunctions and Densities for Atoms |
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| Authors: | Maria Hoffmann-Ostenhof Thomas Hoffmann-Ostenhof Thomas Østergaard Sørensen |
| Affiliation: | Institut für Mathematik, Strudlhofgasse 4, Universit?t Wien, A-1090 Wien, Austria, e-mail: mhoffman@esi.ac.at, AT Institut für Theoretische chemie, W?hringerstrasse 17, Universit?t Wien, A-1090 Wien, Austria, e-mail: thoffman@esi.ac.at, AT The Erwin Schr?dinger International, Institute for Mathematical Physics, Boltzmanngasse 9, A-1090 Wien, Austria, e-mail: tsorense@esi.ac.at, AT |
| 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∈B(x,R) |∇ψ (y)| ≤C(R) supy∈B(x,2R) |ψ (y)| and obtain for the spherically averaged electron density, p(r), that p"(0) exists and is non-negative. |
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