Functional constructions with specified functional derivatives

Approximating the Pauli Potential in Bound Coulomb Systems

(2016) Kati Finzel   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Energy-surfaces from the upper bound of the Pauli kinetic energy

(2016) Kati Finzel et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

(2016) Kati Finzel   JOURNAL OF CHEMICAL PHYSICS

Reinvestigation of the ideal atomic shell structure and its application in orbital-free density functional theory

(2016) K. Finzel   THEORETICAL CHEMISTRY ACCOUNTS

A simple approximation for the Pauli potential yielding self-consistent electron densities exhibiting proper atomic shell structure

(2015) Kati Finzel   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Improved DFT Potential Energy Surfaces via Improved Densities

(2015) Min-Cheol Kim et al.   Journal of Physical Chemistry Letters

Ions in solution: Density corrected density functional theory (DC-DFT)

(2014) Min-Cheol Kim et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Fifty years of density-functional theory in chemical physics

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Density functional theory: Foundations reviewed

(2014) Eugene S. Kryachko et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Understanding and Reducing Errors in Density Functional Calculations

(2013) Min-Cheol Kim et al.   PHYSICAL REVIEW LETTERS

Issues and challenges in orbital-free density functional calculations

(2012) V.V. Karasiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Perspective on density functional theory

(2012) Kieron Burke   JOURNAL OF CHEMICAL PHYSICS

Functional derivative of the kinetic energy functional for spherically symmetric systems

(2011) Á. Nagy   JOURNAL OF CHEMICAL PHYSICS

Failure of the Weizsäcker kinetic energy functional for one-, two-, and three-electron distribution functions

(2011) Debajit Chakraborty et al.   JOURNAL OF MATHEMATICAL CHEMISTRY

Positivity constraints and information-theoretical kinetic energy functionals

(2011) S. B. Trickey et al.   PHYSICAL REVIEW B

The Pauli potential from the differential virial theorem

(2010) Á. Nagy   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Interacting electrons, spin statistics, and information theory

(2010) L. M. Ghiringhelli et al.   JOURNAL OF CHEMICAL PHYSICS

Condition on the Kohn–Sham kinetic energy and modern parametrization of the Thomas–Fermi density

(2009) Donghyung Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Reconstruction of Density Functionals from Kohn−Sham Potentials by Integration along Density Scaling Paths

(2009) Alex P. Gaiduk et al.   Journal of Chemical Theory and Computation

Alternative descriptors of Coulomb systems and their relationship to the kinetic energy

(2008) Á. Nagy   CHEMICAL PHYSICS LETTERS

ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY

(2008) EDUARDO V. LUDEÑA et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Design of kinetic functionals for many-body electron systems: Combining analytical theory with Monte Carlo sampling of electronic configurations

(2008) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW B