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Third derivative of the one-electron density at the nucleus

Søren Fournais, Maria Hoffmann-Ostenhof, Thomas Østergaard Sørensen

math-pharXiv:math-ph/0607004

Abstract

We study electron densities of eigenfunctions of atomic Schroedinger operators. We prove the existence of rho~'''(0), the third derivative of the spherically averaged atomic density rho~ at the nucleus. For eigenfunctions with corresponding eigenvalue below the essential spectrum we obtain the bound rho~'''(0) ≤ -(7/12)Z3 rho~(0), where Z denotes the nuclear charge. This bound is optimal.

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