The electron density is smooth away from Nuclei

DOI10.1007/S002200200668MaRDI QIDQ1849341zbMATH OpenOpenAlexFDO

Authors S. Fournais, Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, T.Østergaard Sørensen

Publication date 1 December 2002

Published in Communications in Mathematical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/math-ph/0109020

Mathematics Subject Classification ID

Finite-dimensional groups and algebras motivated by physics and their representations (81R05) Atomic physics (81V45) Molecular physics (81V55)

Abstract: We prove that the electron densities of electronic eigenfunctions of atoms and molecules are smooth away from the nuclei.

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Cited in

(29)

• Analytic structure of many-body Coulombic wave functions
• Tosio Kato's work on non-relativistic quantum mechanics. I
• Analyticity of the density of electronic wavefunctions
• Estimates on derivatives of coulombic wave functions and their electron densities
• Analyticity of the one-particle density matrix
• A discontinuous Galerkin scheme for full-potential electronic structure calculations
• Hohenberg-Kohn theorems for interactions, spin and temperature
• \({h-P}\) finite element approximation for full-potential electronic structure calculations
• Sharp regularity results for Coulombic many-electron wave functions
• On factorization of molecular wavefunctions
• Asymptotic regularity of solutions to Hartree-Fock equations with Coulomb potential
• The Electron Densities of Pseudorelativistic Eigenfunctions are Smooth Away from the Nuclei
• Tosio Kato's work on non-relativistic quantum mechanics. II
• On the analyticity of electronic reduced densities for molecules
• Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
• Sparse grids for the Schrödinger equation
• From atoms to crystals: a mathematical journey
• BestN-term approximation in electronic structure calculations I. One-electron reduced density matrix
• Analysis of periodic Schrödinger operators: Regularity and approximation of eigenfunctions
• A mathematical analysis of the GW^0 method for computing electronic excited energies of molecules
• A new proof of the analyticity of the electronic density of molecules
• On the mixed regularity of N-body Coulombic wavefunctions
• The diagonal behaviour of the one-particle Coulombic density matrix
• Boundedness of the fifth derivative for the one-particle coulombic density matrix at the diagonal
• Numerical analysis of multi-patch discontinuous Galerkin isogeometric method for full-potential electronic structure calculations
• Eigenvalue estimates for the Coulombic one-particle density matrix and the kinetic energy density matrix
• Regularity of the (N-1)-particle electronic reduced density matrix for molecules with fixed nuclei and N electrons.
• On the regularity of the electronic Schrödinger equation in Hilbert spaces of mixed derivatives
• Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry

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