Sharp regularity results for many-electron wave functions

Details Sharp regularity results for many-electron wave functions Sharp regularity results for many-electron wave functions

2003-12-23

arxiv.org/abs/math-ph/0312060v1

Commun. Math. Phys., 255 (2005) no. 1, 183--227

Physics

Mathematical Physics

43 pages

Scientific paper

10.1007/s00220-004-1257-6

We show that electronic wave functions Psi of atoms and molecules have a representation Psi=F*phi, where F is an explicit universal factor, locally Lipschitz, and independent of the eigenvalue and the solution Psi itself, and phi has locally bounded second derivatives. This representation turns out to be optimal as can already be demonstrated with the help of hydrogenic wave functions. The proofs of these results are, in an essential way, based on a new elliptic regularity result which is of independent interest. Some identities that can be interpreted as cusp conditions for second order derivatives of Psi are derived.

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