This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …

We review the many-body Green's function Bethe–Salpeter equation (BSE) formalism that is
rapidly gaining importance for the study of the optical properties of molecular organic …

The 0–0 energies of 80 medium and large molecules have been computed with a large
panel of theoretical formalisms. We have used an approach computationally tractable for …

Since two decades, time‐dependent density functional theory (TD‐DFT) has been in the
limelight due to its noteworthy efficiency. Indeed, in many cases, TD‐DFT provides accurate …

We present a new first-principles linear-response theory of changes due to perturbations in
the quasiparticle self-energy operator within the GW method. This approach, named GW …

We derive a low-scaling G 0 W 0 algorithm for molecules using pair atomic density fitting
(PADF) and an imaginary time representation of the Green's function and describe its …

The introduction of GW approximation to the electron's self‐energy by Hedin in the 1960s,
where G and W denote the one‐particle Green's function and the screened Coulomb …

We present an implementation of G 0 W 0 and eigenvalue-self-consistent GW (ev GW) in the
Gaussian and plane waves scheme for molecules. We calculate the correlation self-energy …

Amongst the X (Sn, Pb) Y 3 perovskites currently under scrutiny for their photovoltaic
applications, the cubic B-α phase of CsSnI 3 is arguably the best characterized …

We present an implementation of excited-state analytic gradients within the Bethe–Salpeter
equation formalism using an adapted Lagrangian Z-vector approach with a cost …