Related papers: Coupled Maxwell and Time-Dependent Orbital Free De…
Time-dependent orbital-free density functional theory (TD-OFDFT) is an efficient ab-initio method for calculating the electronic dynamics of large systems. In comparison to standard TD-DFT, it computes only a single electronic state…
We propose a scheme for dynamically creating orbitally entangled electron-hole pairs through a time-dependent variation of the electrical potential in a mesoscopic conductor. The time-dependent potential generates a superposition of…
We determine and compare structural, dynamical, and electronic properties of liquid water at near ambient conditions through density-functional molecular dynamics simulations, when using either plane-wave or atomic-orbital basis sets. In…
We study conformal field theories describing two massless one-dimensional fields interacting at a single spatial point. The interactions we include are periodic functions of the bosonized fields separately plus a ``magnetic'' interaction…
The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…
We present a dynamical framework for modeling the motion of point-like charged particles, with or without mass, in general external electromagnetic fields. A key feature of this formulation is the treatment of time coordinate as a dynamical…
Plane-wave electronic-structure predictions based upon orbital-dependent density-functional theory (OD-DFT) approximations, such as hybrid density-functional methods and self-interaction density-functional corrections, are severely affected…
It has recently been proven that certain effective wavefunctions in fractional quantum mechanics and condensed matter do not have a locally conserved current; as a consequence, their coupling to the electromagnetic field leads to extended…
The coupling constant dependence is derived in time-dependent {\em current} density functional theory. The scaling relation can be used to check approximate functionals and in conjunction with the adiabatic connection formula to obtain the…
In this letter we introduce a particular solution for parallel electric and magnetic fields, in a gravitational background, which satisfy free-wave equations and the phenomenology suggested by astrophysical plasma physics. These free-wave…
The magnetic response of strongly localized electrons to a time-dependent vector potential is considered. The orbital magnetic moment of the system, away from steady-state conditions, is obtained. The expression involves the tunneling and…
Hypotheses: To correctly predict the aggregation number and size of wormlike micelles from ionic surfactants, the molecular-thermodynamic theory has to calculate the free energy per molecule in the micelle with accuracy better than 0.01 kT,…
Current-density-functional theory is used to calculate ionization energies of current-carrying atomic states. A perturbative approximation to full current-density-functional theory is implemented for the first time, and found to be…
We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…
A non-linear conjugate gradient optimization scheme is used to obtain excitation energies within the Random Phase Approximation (RPA). The solutions to the RPA eigenvalue equation are located through a variational characterization using a…
We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…
Maxwell's multipoles are a natural geometric characterisation of real functions on the sphere (with fixed $\ell$). The correlations between multipoles for gaussian random functions are calculated, by mapping the spherical functions to…
An exchange-correlation energy functional $ E_{\mathrm xc} $ and the resultant exchange-correlation potential $ v_{\mathrm xc}({\bf r}) $ in density-functional theory are proposed using orbital-dependent coupling-constant-averaged pair…
The general theory of time-dependent frequency and time-dependent mass ('effective mass') is described.The general theory for time-dependent harmonic- oscillator is applied in the present research for studying certain quantum effects in the…
The interplay of spin-orbit interactions and Coulomb correlations has become a hot topic in condensed matter theory. Here, we review recent advances in dynamical mean-field theory-based electronic structure calculations for iridates and…