Motivated by the current high interest in the field of warm dense matter research, in this
article we review the uniform electron gas (UEG) at finite temperature and over a broad …

This article reviews the current status of lattice-dynamical calculations in crystals, using
density-functional perturbation theory, with emphasis on the plane-wave pseudopotential …

Matter at extreme temperatures and pressures—commonly known as warm dense matter
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …

This book emerged from a course on density functional theory (DFT), first given at the
University of Munich more than a decade ago. The course was based on the classic texts by …

This article describes the variational and fixed-node diffusion quantum Monte Carlo methods
and how they may be used to calculate the properties of many-electron systems. These …

The ground-state energy and density of a many-electron system are often calculated by
Kohn-Sham density functional theory. We describe a ladder of approximations for the …

The central quantity of density functional theory is the so-called exchange–correlation
functional. This quantity encompasses all non-trivial many-body effects of the ground-state …

An efficient method for the prediction of fundamental band gaps in solids using density
functional theory (DFT) is proposed. Generalizing the Delta self-consistent-field (Δ SCF) …

In a recent Letter [T. Dornheim et al., Phys. Rev. Lett. 117, 156403 (2016) PRLTAO 0031-
9007 10.1103/PhysRevLett. 117.156403], we presented the first quantum Monte Carlo …

The ground-state energy of the two-dimensional uniform electron gas has been calculated
with a fixed-node diffusion Monte Carlo method, including backflow correlations, for a wide …