Now showing items 1-10 of 27
Accurate calculation of the solutions to the Thomas-Fermi equations
We obtain highly accurate solutions to the Thomas-Fermi equations for atoms and atoms in very strong magnetic fields. We apply the Padé-Hankel method, numerical integration, power series with Padé and Hermite-Padé approximants ...
Thomas–Fermi approach to density functional theory: binding energy for atomic systems
(Iop Publishing, 2016-06)
In this work, we re-examine the Thomas-Fermi (TF) formalism as an approach to the calculation of atomic binding energies. We focus on the concept of electron density as the central magnitude, and the way in which the ...
The ionization conjecture in Thomas-Fermi-Dirac-von Weizsäcker theory
We prove that in Thomas-Fermi-Dirac-von Weizsacker theory, a nucleus of charge Z>0 can bind at most Z+C electrons, where C is a universal constant. This result is obtained through a comparison with Thomas-Fermi theory ...
A numerical study of the Lieb-Thirring kinetic energy lower bound
(Taylor and Francis, 2016)
In this work, the Lieb-Thirring kinetic energy bound is numerically examined for a variety of systems: the hydrogen-like atoms, neutral atoms, isoelectronic series of atomic ions, the Hooke's atom and some small molecules. ...
Finite temperature correction to the Thomas-Fermi approximation for a Bose-Einstein condensate: comparison between theory and experiment
(IOP PUBLISHING LTD, 2009)
We observe experimentally a deviation of the radius of a Bose-Einstein condensate from the standard Thomas-Fermi prediction, after free expansion, as a function of temperature. A modified Hartree-Fock model is used to ...
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
(SpringerNew YorkEUA, 2007)
Ion solvation energies from density functional theory
Electrostatic solvation energies of singly charged monoatomic ions may be predicted from the knowledge of an electrostatic potential buildup from a physically meaningful ionic radius. Since the asymptotic behavior of the ...