Estimates on derivatives of Coulombic wave functions and their electron densities

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We prove a priori bounds for all derivatives of non-relativistic Coulombic eigenfunctions Ψ, involving negative powers of the distance to the singularities of the many-body potential. We use these to derive bounds for all derivatives of the corresponding one-electron densities p, involving negative powers of the distance from the nuclei. The results are both natural and optimal, as seen from the ground state of Hydrogen.

Original languageEnglish
JournalJournal fur die Reine und Angewandte Mathematik
Volume2021
Issue number775
Pages (from-to)1-38
Number of pages38
ISSN0075-4102
DOIs
Publication statusPublished - 1 Jun 2021
Externally publishedYes

Bibliographical note

Funding Information:
This article may be reproduced in its entirety for non-commercial purposes. Søren Fournais was partially supported by a Sapere Aude Grant from the Independent Research Fund Denmark, Grant number DFF-4181-00221, and by the European Research Council, ERC grant agreement 202859. Thomas Østergaard Sørensen was partially supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy (EXC-2111-390814868).

Publisher Copyright:
© De Gruyter 2021.

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