Density functional theory (DFT) calculations have become widespread in both chemistry and
materials, because they usually provide useful accuracy at much lower computational cost …

While in principle exact, Kohn–Sham density functional theory—the workhorse of
computational chemistry—must rely on approximations for the exchange–correlation …

This is a comprehensive review of the strong-interaction limit of density functional theory. It
covers the derivation of the limiting strictly correlated electrons (SCE) functional from exact …

The adiabatic connection that has, as weak-interaction expansion, the Møller–Plesset
perturbation series has been recently shown to have a large coupling-strength expansion, in …

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 …

We show that accurate exchange–correlation hybrid functionals give very physically
optimized effective-correlation potentials, capable of correctly describing the quantum …

Adiabatic connection models (ACMs), which interpolate between the limits of weak and
strong interaction, are powerful tools to build accurate exchange–correlation functionals. If …

Semiclassical neutral atom theory is an important constraint of the state-of-the-art
development of exchange-correlation functionals for solid-state physics. Based on this …

In recent years, adiabatic connection (AC) interpolations developed within density functional
theory (DFT) have been found to provide good performances in the calculation of interaction …

We investigate the performance of beyond-GW approaches in many-body perturbation
theory by addressing atoms described within the spherical approximation via a dedicated …