Electron Wavefunctions and Densities for Atoms

Details Electron Wavefunctions and Densities for Atoms Electron Wavefunctions and Densities for Atoms

2000-05-02

arxiv.org/abs/math/0005018v1

Ann. Henri Poincar\'e 2 (2001), no. 1, 77--100

Mathematics

Analysis of PDEs

Scientific paper

10.1007/PL00001033

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

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