Related papers: Time-dependent density functional theory beyond th…
Previous theoretical studies on superconductivity were focused on the static states and adiabatic processes. Quantum mechanics simulations of time-dependent processes in superconductors were rarely performed previously. Here we use…
An alternative approach to the derivation of the force on a vortex based in an adiabatic approximation in the action of the superfluid system is developed. Assuming that the vortex motion is relatively slow compared with the characteristic…
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…
Recent progress in the formulation of a fully dynamical local approximation to time-dependent Density Functional Theory appeals to the longitudinal and transverse components of the exchange and correlation kernel in the linear…
The acoustic excitations of the expanded metal solutions Li-NH$_3$ have been measured by inelastic X-ray scattering as a function of the electron density by changing the Li concentration. The dielectric functions of these model metals with…
A mechanism is proposed to describe the occurrence of distance-dependent dissipation peaks in the dynamics of an atomic force microscope tip oscillating over a surface characterized by a charge density wave state. The dissipation has its…
We study the large time behavior of solutions to the system of equations describing motion of compressible viscoelastic fluids. We focus on the linearized system around a motionless state in a three-dimensional exterior domain and derive…
Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H$^-$ ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact-exchange…
Kinetic energy functionals of the electronic density are used to model large systems in the context of density functional theory, without the need to obtain electronic wavefunctions. We discuss the problems associated with the application…
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 system-size scaling enabling computations on systems much larger…
We clarify some misunderstandings on the time-dependent current density functional theory for open quantum systems we have recently introduced [M. Di Ventra and R. D'Agosta, Phys. Rev. Lett. {\bf 98}, 226403 (2007)]. We also show that some…
We calculate the optical spectra of silicon and germanium in the adiabatic time-dependent density functional formalism, making use of kinetic energy density-dependent (meta-GGA) exchange-correlation functionals. We find excellent agreement…
Time-dependent density functional theory (TDDFT) within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the…
A new kinetic instability which results in formation of charge density waves is proposed. The instability is of a purely classical nature. A spatial period of arising space-charge and field configuration is inversely proportional to…
Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of…
The hydrodynamic regime of electron transport has been recently realized in conductors with ultra-low densities of defects. Although relaxation processes in two-dimensional (2D) fluids have been studied in many theoretical works, the…
We present technical results required for the description and understanding of correlations and fluctuations of the empirical density and current as well as diverse time-integrated and time-averaged thermodynamic currents of diffusion…
We prove the existence of large-data global-in-time weak solutions to an evolutionary PDE system describing flows of incompressible \emph{heat-conducting} viscoelastic rate-type fluids with stress-diffusion, subject to a stick-slip boundary…
A minimal athermal model for the flow of dense disordered materials is proposed, based on two generic ingredients: local plastic events occuring above a microscopic yield stress, and the non-local elastic release of the stress these events…
A recently developed local-density current functional formalism for confined Bose-condensed superfluids requires visco-elastic spectra which are defined through a finite-frequency extension of the dissipative coefficients entering the…