The attraction density functional theory (DFT) has for electronic structure theory is that it is
easier to do computationally than ab initio, correlated wavefunction methods, due to its …

Due to their quantitative accuracy and ability to solve several difficulties, screened range-
separated hybrid exchange-correlation functionals are now a standard approach for ab initio …

We have studied the correlation potentials produced by various adiabatic connection
models (ACMs) for several atoms and molecules. The results have been compared to …

We have performed a systematic and broad study of the performance of the ab initio OEP2-
sc functional for spin-polarized systems, including the computation of ionization potentials …

We propose a modified interaction strength interpolation method that is more robust in the
quasi-two-dimensional density regime and more accurate than the original method [M. Seidl …

A practical, accurate, and cost-and implementation-free method (ΔMP2-SOS (IP)) for the
calculation of vertical ionization potentials is proposed. The simple method is based on a …

The performance of correlated optimized effective potential (OEP) functionals based on the
spin-resolved second-order correlation energy is analysed. The relative importance of singly …

We extend the range-separated double-hybrid RSH+ MP2 method (Ángyán, JG; et al. Phys.
Rev. A 2005, 72, 012510), combining long-range HF exchange and MP2 correlation with a …

We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-
potential (OEP) method. The orbitals are optimized using a local potential corresponding to …

One important property of Kohn–Sham (KS) density functional theory is the exact equality of
the energy of the highest occupied KS orbital (HOMO) with the negative ionization potential …