Abinit is a material-and nanostructure-oriented package that implements density-functional
theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles …

We review recent theoretical and computational developments in time-dependent density-
functional theory (TDDFT) for periodic insulators and semiconductors. To capture excitonic …

In the thirty-two years since the birth of the foundational theorems, time-dependent density
functional theory has had a tremendous impact on calculations of electronic spectra and …

We present a framework for obtaining reliable solid-state charge and optical excitations and
spectra from optimally tuned range-separated hybrid density functional theory. The …

We present band structure and optical absorption spectra obtained from density functional
theory (DFT) and linear response time-dependent DFT (TDDFT) calculations using a …

We present an ab initio study of electronically excited states of three-dimensional solids
using Gaussian-based periodic equation-of-motion coupled-cluster theory with single and …

The accurate prediction of electronic and optical properties of molecules and solids is a
persistent challenge for methods based on density functional theory. We propose a …

A simple effective screening parameter for the screened range-separated exchange-
correlation hybrid functional is constructed from the compressibility sum rule, in the context …

Many-body theory is largely based on self-consistent equations that are constructed in terms
of the physical quantity of interest itself, for example the density. Therefore, the calculation of …

We present a screened exact-exchange (SXX) method for the efficient and accurate
calculation of the optical properties of solids, where the screening is achieved through the …