Density Functional Theory of Electron Systems; Constrained Functional Differentiation

Tamas Gal, associate professor

Selected papers:

Gori-Giorgi P, Gál T, Baerends EJ: Asymptotic behaviour of the electron density and the Kohn–Sham potential in case of a Kohn–Sham HOMO nodal plane, Mol. Phys. 114, 1086-1097 (2016)
Gal T: Why the traditional concept of local hardness does not work, Theor. Chem. Acc. 131 1223 (2012)
Gal T, Geerlings P, De Proft F, Torrent-Sucarrat M: A new approach to local hardness, Phys. Chem. Chem. Phys. 13 15003-15015 (2011)
Gál T: Differentiability of energy functionals in spin-density-functional theory, Phys. Rev. B 75 235119 (2007)