A new proof of the analyticity of the electronic density of molecules.

Thierry Jecko (1)

1 AGM - UMR 8088 - Analyse, Géométrie et Modélisation

We give a new, short proof of the regularity away from the nuclei of the electronic density of a molecule obtained in [1,2]. The new argument is based on the regularity properties of the Coulomb interactions underlined in [3] and on well-known elliptic technics. [1] S. Fournais, M. Hoffmann-Ostenhof, T. Hoffmann-Ostenhof, T. Oe stergaard Soerensen: The electron density is smooth away from the nuclei. Comm. Math. Phys. 228, no. 3 (2002), 401-415. [2] S. Fournais, M. Hoffmann-Ostenhof, T. Hoffmann-Ostenhof, T. Oestergaard Soerensen: Analyticity of the density of electronic wave functions. Ark. Mat. 42, no. 1 (2004), 87-106. [3] M. Klein, A. Martinez, R. Seiler, X.P. Wang: On the Born-Oppenheimer expansion for polyatomic molecules. Comm. Math. Phys. 143, no. 3, 607-639 (1992).

Mots clés: Elliptic regularity; analytic elliptic regularity; molecular Hamiltonian; electronic density; Coulomb potential.; Coulomb potential

Domaines: Physique mathématique [math-ph]; Physique mathématique [math-ph]

Thierry Jecko. A new proof of the analyticity of the electronic density of molecules.. 2009. ⟨hal-00372603v5⟩