Third derivative of the one-electron density at the nucleus (Q1002368)
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English | Third derivative of the one-electron density at the nucleus |
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Third derivative of the one-electron density at the nucleus (English)
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26 February 2009
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Having proved that the electron densities \(\rho\) of atomic and molecular eigenfunctions of Schrödinger operators are real analytic away from the positions of the nuclei [cf. \textit{S. Fournais, M. Hoffmann-Ostenhof, T. Hoffmann-Ostenhof}, and \textit{T. Ostergaard Sorensen}, Ark. Mat. 42, 87--106 (2004; Zbl 1068.35118)], the authors study the regularity of \(\rho\) in the vicinity of the nuclei. They prove the existence of a third derivative of the spherically averaged atomic density at the nucleus and derive a negative upper bound to it for eigenvalues below the essential spectrum in any symmetric subspace.
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electron density
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derivatives of electron densities
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analyticity of electron densities
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