Related papers: Time-dependent density functional theory of high e…
We present a quantum-defect theory (QDT) for the $-1/r^4$ type of long-range potential, as a foundation for a systematic understanding of charge-neutral quantum systems such as ion-atom, ion-molecule, electron-atom, and positron-atom…
We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…
By propagating the many-body Schr\"odinger equation, we determine the exact time-dependent Kohn-Sham potential for a system of strongly correlated electrons which undergo field-induced tunneling. Numerous features are entirely absent from…
We apply the time-dependent current-density functional theory to the study of the relaxation of a closed many-electron system evolving from an non-equilibrium initial state. We show that the self-consistent unitary time evolution generated…
The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…
Nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the…
We investigate the distribution of the electron density and the potential in a quantum wire coupled to reservoirs, treating this structure as a unified quantum system and taking into account the Coulomb interaction of electrons. The…
The general expectation that, in principle, time-dependent density functional theory (TDDFT) be an exact formulation of the time-evolution of an interacting N-electron system is critically reexamined. It is demonstrated that the previous…
The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energues from time-dependent density functional theory is studied. Excitation energies of the He and Be atoms are…
Using density functional theory, we investigate fluctuations of the ground state energy of spin-polarized, disordered quantum dots in the metallic regime. To compare to experiment, we evaluate the distribution of addition energies and find…
Recent progress in the field of (time-independent) ensemble density-functional theory (DFT) for excited states are reviewed. Both Gross-Oliveira-Kohn (GOK) and $N$-centered ensemble formalisms, which are mathematically very similar and…
We have studied the angular time delay in slow-electron elastic scattering by spherical targets as well as the average time delay of electrons in this process. It is demonstrated how the angular time delay is connected to the…
The fractional quantum Hall effect remains a captivating area in condensed matter physics, characterized by strongly correlated topological order, which manifests as fractionalized excitations and anyonic statistics. Numerical simulations,…
Harmonic generation in the scattered fields produced by a dielectric sphere coated with a time-varying conductive shell is studied using a Mie theory approach hybridized with conversion matrix methods. Analytic results are derived for plane…
This chapter provides a basic introduction to excited-state extensions of density functional theory (DFT), including time-dependent (TD-)DFT in both its linear-response and its explicitly time-dependent formulations. As applied to the…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
We consider the time-dependent Hamiltonian $H(t)= {1 \over 2} p^2 -E(t) \cdot x + V(t,x)$ on $L^2(R^n)$, where the external electric field $E(t)$ and the short-range electric potential $V(t,x)$ are time-periodic with the same period. It is…
Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions…
We study systems with local vibrating potentials, one-dimensional single and double wells and the tight-binding 1D model with single vibrating site. In general, these systems transmit, or reflect particles inelastically, with absorption or…
We introduce the transition-density formalism, an efficient and general method for calculating the interaction of external probes with light nuclei. One- and two-body transition densities that encode the nuclear structure of the target are…