The exact Fermi potential yielding the Hartree-Fock electron density from orbital-free density functional theory

About the difference between density functionals defined by energy criterion and density functionals defined by density criterion: Exchange functionals

(2016) Kati Finzel   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Approximating the Pauli Potential in Bound Coulomb Systems

(2016) Kati Finzel   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

Exact expressions for the Kohn–Sham exchange-correlation potential in terms of wave-function-based quantities

(2016) Rogelio Cuevas-Saavedra et al.   MOLECULAR 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

Kohn–Sham exchange-correlation potentials from second-order reduced density matrices

(2015) Rogelio Cuevas-Saavedra et al.   JOURNAL OF CHEMICAL PHYSICS

Reduction of Electronic Wave Functions to Kohn-Sham Effective Potentials

(2015) Ilya G. Ryabinkin et al.   PHYSICAL REVIEW LETTERS

Hierarchy of model Kohn–Sham potentials for orbital-dependent functionals: A practical alternative to the optimized effective potential method

(2014) Sviataslau V. Kohut et al.   JOURNAL OF CHEMICAL PHYSICS

Issues and challenges in orbital-free density functional calculations

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

The Pauli potential from the differential virial theorem

(2010) Á. Nagy   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY