Density functional theory for comprehensive orbital energy calculations

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

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

Tuned Range-Separated Hybrids in Density Functional Theory

(2010) Roi Baer et al.   Annual Review of Physical Chemistry

On Koopmans’ theorem in density functional theory

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

Modified Regional Self-Interaction Correction Method Based on the Pseudospectral Method†

(2010) Ayako Nakata et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations

(2009) Ayako Nakata et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity

(2008) Andrew M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS