activity
20062021
most citedEnergy surface, chemical potentials, Kohn-Sham energies in spin-polarized density functional theory

49 citations · 215 across the 17 of their papers we have counts for

collaborators

17 papers

hep-ex2021★ 12 cited

Combined sensitivity of JUNO and KM3NeT/ORCA to the neutrino mass ordering

KM3NeT Collaboration, S. Aiello, A. Albert +275

This article presents the potential of a combined analysis of the JUNO and KM3NeT/ORCA experiments to determine the neutrino mass ordering. This combination is particularly interes…

physics.chem-ph2012

Does the derivative of the energy density functional provide a proper quantitative formulation of electronegativity?

Tamas Gal

It is pointed out that the derivative of the energy density functional does not provide a valid local electronegativity measure, in spite of its appealing property of becoming cons…

math-ph2012★ 1 cited

On constrained second derivatives

Tamas Gal

The question of defining unique, generally applicable constrained second, and higher-order, derivatives is investigated. It is shown that second-order constrained derivatives obtai…

physics.chem-ph2011

Asymptotic behavior of the electron density and the Kohn-Sham potential in case of a Kohn-Sham HOMO nodal plane

P. Gori-Giorgi, T. Gál, E. J. Baerends

It is known that the asymptotic decay of the electron density $n(\br)$ outside a molecule is informative about its first ionization potential , $n(|\br|\to\infty) \sim \text{e…

physics.atom-ph2011★ 1 cited

The ground-state energy and external potential as functionals of the electron density and their derivatives

Tamas Gal

It is shown that the ground-state energy as a functional solely of the electron density is determined by the asymptotic value of the derivative of the degree-one homogeneous extens…

physics.chem-ph2011

Local energy: a basis for local electronegativity and local hardness

Tamas Gal

The traditional approach to establishing a local measure of chemical hardness, by defining a local hardness concept through the derivative of the chemical potential with respect to…