Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations

Removal of Basis-Set Artifacts in Kohn–Sham Potentials Recovered from Electron Densities

(2013) Alex P. Gaiduk et al.   Journal of Chemical Theory and Computation

Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange

(2013) Ilya G. Ryabinkin et al.   PHYSICAL REVIEW LETTERS

Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons

(2012) Ilya G. Ryabinkin et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Determination of Kohn–Sham effective potentials from electron densities using the differential virial theorem

(2012) Ilya G. Ryabinkin et al.   JOURNAL OF CHEMICAL PHYSICS

Increasing the applicability of density functional theory. III. Do consistent Kohn-Sham density functional methods exist?

(2012) Prakash Verma et al.   JOURNAL OF CHEMICAL PHYSICS

On the evaluation of the non-interacting kinetic energy in density functional theory

(2012) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Pure-state noninteractingv-representability of electron densities from Kohn-Sham calculations with finite basis sets

(2012) Piotr de Silva et al.   PHYSICAL REVIEW A

Unambiguous optimization of effective potentials in finite basis sets

(2011) Christoph R. Jacob   JOURNAL OF CHEMICAL PHYSICS

A density-functional approximation for relativistic kinetic energy

(2010) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Exact nonadditive kinetic potentials for embedded density functional theory

(2010) Jason D. Goodpaster et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initioDFT and its role in electronic structure theory

(2010) Rodney J. Bartlett   MOLECULAR PHYSICS

Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories

(2009) Felipe A. Bulat et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A family of model Kohn–Sham potentials for exact exchange

(2008) Viktor N. Staroverov   JOURNAL OF CHEMICAL PHYSICS

Virial exchange energies from model exact-exchange potentials

(2008) Alex P. Gaiduk et al.   JOURNAL OF CHEMICAL PHYSICS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS