@article {Livshits2007,
	title = {A well-tempered density functional theory of electrons in molecules},
	journal = {Phys. Chem. Chem. Phys.},
	volume = {9},
	number = {23},
	year = {2007},
	note = {RBaer-Publication},
	pages = {2932{\textendash}2941},
	abstract = {This Invited Article reports extensions of a recently developed approach to density functional theory with correct long-range behavior (R. Baer and D. Neuhauser, Phys. Rev. Lett., 2005, 94, 043002). The central quantities are a splitting functional \gamma[n] and a complementary exchange-correlation functional E_\gammaXC[n]. We give a practical method for determining the value of γin molecules, assuming an approximation for E_\gammaXC is given. The resulting theory shows good ability to reproduce the ionization potentials for various molecules. However it is not of sufficient accuracy for forming a satisfactory framework for studying molecular properties. A somewhat different approach is then adopted, which depends on a density-independent γand an additional parameter w eliminating part of the local exchange functional. The values of these two parameters are obtained by best-fitting to experimental atomization energies and bond lengths of the molecules in the G2(1) database. The optimized values are γ= 0.5 a_0^-1 and w = 0.1. We then examine the performance of this slightly semi-empirical functional for a variety of molecular properties, comparing to related works and experiment. We show that this approach can be used for describing in a satisfactory manner a broad range of molecular properties, be they static or dynamic. Most satisfactory is the ability to describe valence, Rydberg and inter-molecular charge-transfer excitations.},
	url = {http://pubs.rsc.org/en/content/articlepdf/2007/cp/b617919c},
	author = {Livshits, Ester and Baer, Roi}
}
