This article is a rough, quirky overview of both the history and present state of the art of
density functional theory. The field is so huge that no attempt to be comprehensive is made …

Random-phase approximation (RPA) methods are rapidly emerging as cost-effective
validation tools for semilocal density functional computations. We present the theoretical …

Higher acenes have drawn much attention as promising organic semiconductors with
versatile electronic properties. However, the nature of their ground state and electronic …

In recent years, Green's function methods have garnered considerable interest due to their
ability to target both charged and neutral excitations. Among them, the well-established GW …

We present a consistent linear response formulation of the density functional based tight-
binding method for long-range corrected exchange-correlation functionals (LC-DFTB) …

We present an efficient particle–particle random phase approximation (ppRPA) approach
that predicts accurate excitation energies of point defects, including the nitrogen-vacancy …

We developed an efficient active-space particle–particle random-phase approximation
(ppRPA) approach to calculate accurate charge-neutral excitation energies of molecular …

The particle–particle random phase approximation (ppRPA) within the hole–hole channel
was recently proposed as an efficient tool for computing excitation energies of point defects …

According to the classification of Jacob's Ladder proposed by Perdew, density functional
approximations (DFAs) on the top (fifth) rung add the information of the unoccupied Kohn …

Hedin's equations provide an elegant route to compute the exact one-body Green's function
(or propagator) via the self-consistent iteration of a set of nonlinear equations. Its first-order …