Journal
COMMUNICATIONS IN MATHEMATICAL PHYSICS
Volume 255, Issue 1, Pages 183-227Publisher
SPRINGER
DOI: 10.1007/s00220-004-1257-6
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We show that electronic wave functions psi of atoms and molecules have a representation psi = Fphi, where F is an explicit universal factor, locally Lipschitz, and independent of the eigenvalue and the solution psi itself, and phi has second derivatives which are locally in L-infinity. 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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