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Binding stabilityof molecules in density-matrix-functional theories

Yukimi Goto (Tokyo University)
Torsdag, 27 september, 2018, at 15:15-16:00, in Aud. D4 (1531-219)
We study the stability of molecules in reduced density-matrix  theories (RDMT), mainly Mueller theory.  It is well-known that, going back to the work of Lieb and Thirring (1986,  Phys. Rev. A 34), neutral atoms and molecules are stable in the  nonrelativistic Schroedinger theory.

On the other hand, density-functional theory may not have the same  feature, since it deals only with single particle densities. Indeed,  Thomas-Fermi (TF) theory cannot describe the binding stability of  molecules by Teller's no-binding theorem.

  For Hartree and TF type theories Catto and Lions found some binding  condition in a series of works (1992, Commun Part Diff Equ).  We will extend the method of Catto and Lions to treat RDMT of molecules.
Kontaktperson: Jacob Schach Møller