Functionals from the strong-interaction limit of DFT: exact treatment, approximations, results, and perspectives
Paola Gori-Giorgi
Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, Amsterdam, Pays-Bas.
Vendredi 30 Septembre 2016, 11h00
bibliothèque LCT, tour 12 - 13, 4ème étage
The strong-interaction limit of the Kohn-Sham DFT exchange-correlation functional has a mathematical structure radically different than the one of standard approximated functionals. Instead of the usual ingredients (local density, local density gradient, Kohn-Sham kinetic energy density, occupied orbitals, etc...) in this limit certain integrals of the density appear.
I will discuss some recent exact results on this limit and approximations inspired to its mathematical structure, illustrating applications and perspectives in low-dimensional physics and in chemistry.