Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and
bio-chemistry. In many applications the size of the systems involved calls for time-dependent …

The basic concepts and recent developments in the time-dependent density-functional
theory (TDDFT) for describing nuclear dynamics at low energy are presented. The symmetry …

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 …

Abstract SALMON (Scalable Ab-initio Light–Mattersimulator for Optics and Nanoscience,
http://salmon-tddft. jp) is a software package for the simulation of electron dynamics and …

The response of matter to external fields forms the basis for a vast wealth of fundamental
physical processes ranging from light harvesting to nanoscale electron transport. Accurately …

We apply the coupled dynamics of time-dependent density functional theory and Maxwell
equations to the interaction of intense laser pulses with crystalline silicon. As a function of …

Electronic excitations can be efficiently analyzed in terms of the underlying Kohn–Sham (KS)
electron–hole transitions. While such a decomposition is readily available in the linear …

Time-dependent density functional theory has emerged as a method of choice for
calculations of spectra and response properties in physics, chemistry, and biology, with its …

We theoretically investigate high harmonic generation (HHG) from silicon thin films with
thicknesses from a few atomic layers to a few hundreds of nanometers, to determine the …

We present a method suitable for large-scale accurate simulations of excited state dynamics
within the framework of time-dependent density functional theory (DFT). This is achieved by …