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

Infinite order relaxation effects for core ionization energies with a variational coupled cluster ansatz

(2012) Thomas J. Watson et al.   CHEMICAL PHYSICS LETTERS

Constraining density functional approximations to yield self-interaction free potentials

(2012) Nikitas I. Gidopoulos et al.   JOURNAL OF CHEMICAL PHYSICS

Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond

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

Linearity condition for orbital energies in density functional theory (II): Application to global hybrid functionals

(2011) Yutaka Imamura et al.   CHEMICAL PHYSICS LETTERS

Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree–Fock DFT for predicting transition states

(2011) Prakash Verma et al.   CHEMICAL PHYSICS LETTERS

Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential

(2011) Ireneusz Grabowski et al.   JOURNAL OF CHEMICAL PHYSICS

Linearity condition for orbital energies in density functional theory: Construction of orbital-specific hybrid functional

(2011) Yutaka Imamura et al.   JOURNAL OF CHEMICAL PHYSICS

Progress at the interface of wave-function and density-functional theories

(2011) Nikitas I. Gidopoulos   PHYSICAL REVIEW A

On Koopmans’ theorem in density functional theory

(2010) Takao Tsuneda et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initioDFT and its role in electronic structure theory

(2010) Rodney J. Bartlett   MOLECULAR PHYSICS

Single-particle and quasiparticle interpretation of Kohn-Sham and generalized Kohn-Sham eigenvalues for hybrid functionals

(2010) T. Körzdörfer et al.   PHYSICAL REVIEW B

Koopmans’ condition for density-functional theory

(2010) Ismaila Dabo et al.   PHYSICAL REVIEW B

Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method

(2010) Tamar Stein et al.   PHYSICAL REVIEW LETTERS

Towards an exact correlated orbital theory for electrons

(2009) Rodney J. Bartlett   CHEMICAL PHYSICS LETTERS

Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors

(2009) Stephan Lany et al.   PHYSICAL REVIEW B

Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory

(2008) Igor V. Schweigert et al.   JOURNAL OF CHEMICAL PHYSICS