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 …

Time-dependent density functional theory continues to draw a large number of users in a
wide range of fields exploring myriad applications involving electronic spectra and …

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 …

A fundamental property of a quantum system driven by an external field is that when the field
is turned off the positions of its response frequencies are independent of the time at which …

Rabi oscillations have long been thought to be out of reach in simulations using time-
dependent density functional theory (TDDFT), a prominent symptom of the failure of the …

Many references exist in the density functional theory (DFT) literature to the chemical
potential of the electrons in an atom or a molecule. The origin of this notion has been the …

We identify peak and valley structures in the exact exchange-correlation potential of time-
dependent density functional theory that are crucial for time-resolved electron scattering in a …

We propose a machine-learning-based approach to develop the exchange-correlation
potential of time-dependent density-functional theory (TDDFT). The neural network …

We show that propagation with the best possible adiabatic approximation in time-dependent
density-functional theory fails to properly transfer charge in an asymmetric two-site Hubbard …

Nonequilibrium electron dynamics in solids is an important subject from both fundamental
and technological points of view. The recent development of laser technology has enabled …