Seminarium KMMF "Teoria Dwoistości"
sala seminaryjna KMMF, Hoża 74, Vp.
José M. GRACIA-BONDÍA (U Zaragoza)
A new density functional for quantum chemistry
Mathematicians and physicists alike sometimes ignore the interest andand depth of the problems raised by molecular theory. Nevertheless,strong mathematical physicists, like Elliott H. Lieb in particular, havedeservedly made a name for themselves by addressing them withthe methods of functional analysis; their success in "proving" stabilityof matter in quantum mechanics is a case in point.We plan to review in the first part of the talk the main "chemicalmathematics" problems, specially $D_n$-representability, from ahistorical perspective; as well as the current status of densityfunctional theories.In the second part of the talk we present our own (generalized)density functional, on the arena of phase space, discussing itsadvantages and disadvantages. We take the occasion to pierce twosmall holes in Lieb's armour.