In this paper, the history, present status, and future of density-functional theory (DFT) is
informally reviewed and discussed by 70 workers in the field, including molecular scientists …

In this article, we review strong light-matter coupling at the interface of materials science,
quantum chemistry, and quantum photonics. The control of light and heat at thermodynamic …

The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and
Sham in the mid-1960s is based on the idea that the complicated N-electron wave function …

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 …

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …

We describe an ab initio method for calculating the electronic structure, electronic transport,
and forces acting on the atoms, for atomic scale systems connected to semi-infinite …

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 …

Electronic excitations lie at the origin of most of the commonly measured spectra. However,
the first-principles computation of excited states requires a larger effort than ground-state …

During the 11 years since the first edition was published the field of quantum kinetics has
experienced a great expansion, and the methods described in the first edition are now …

Collective electronic excitations at metal surfaces are well known to play a key role in a wide
spectrum of science, ranging from physics and materials science to biology. Here we focus …