Related papers: Coupled Maxwell and Time-Dependent Orbital Free De…
Experiments and computer simulations are carried out to investigate ordering principles in a granular gas which phase separates under vibration. The densities of the dilute and the dense phase are found to follow a lever rule. A Maxwell…
The time-dependent density functional (TDDFT) equations may be written either for the Kohn-Sham orbitals in Hilbert space or for the single electron density matrix in Liouville space. A collective-oscillator, quasiparticle, representation…
Density functional theory with plane-wave basis sets is widely employed in computational materials science, including applications to isolated molecular systems. However, the inadequate description of electron correlation remains a…
We consider the time evolution of the electric and magnetic field operators for a two-level atom, interacting with the electromagnetic field, placed near an infinite perfectly conducting wall. We solve iteratively the Heisenberg equations…
Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…
We present a time-dependent formulation of coupled cluster theory. This theory allows for direct computation of the free energy of quantum systems at finite temperature by imaginary time integration and is closely related to the thermal…
Orbital-free Density Functional Theory (OF-DFT) has been used when studying atoms, molecules and solids. In nuclear physics, there has been basically no application of OF-DFT so far, as the Density Functional Theory (DFT) has been widely…
Orbital-free density functional theory (OF-DFT) runs at low computational cost that scales linearly with the number of simulated atoms, making it suitable for large-scale material simulations. It is generally considered that OF-DFT strictly…
The real-time dynamics of interacting electrons out of equilibrium contains detailed microscopic information about electronically correlated materials, which can be read out with time-resolved optical spectroscopy. The reflectivity that is…
A time-dependent current-density-functional theory for many-particle systems in interaction with arbitrary external baths is developed. We prove that, given the initial quantum state $|\Psi_0>$ and the particle-bath interaction operator,…
A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…
In this work we study the classical electrodynamics in homogeneous conducting and nonconducting time-dependent linear media in the absence of charge sources. Surprisingly, we find that the time dependence of the permittivity gives rise to…
In this article we have illustrated how is possible to formulate Maxwell's equations in vacuum in an independent form of the usual systems of units. Maxwell's equations, are then specialized to the most commonly used systems of units:…
The integral formulation of Maxwell's equations expressed in terms of an arbitrary observer family in a curved spacetime is developed and used to clarify the meaning of the lines of force associated with observer-dependent electric and…
Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic, and can be systematically improved with training. Highly…
For explicitly time depending mass density, which satisfies a continuity equation, it is shown that Maxwell-like equations for gravitational field follow naturally without any need of General Relativity Theory approximation or related…
We introduce natural atomic orbitals as the local projector to define the correlated subspace for DFT + DMFT (density functional theory plus dynamical mean-field theory) calculation. The natural atomic orbitals are found to be stably…
We show that the time dependent single electron, nuclear density matrix of an interacting electronic system coupled to nuclear degrees of freedom can be exactly reproduced by that of an electronic system with arbitrarily specified…
New time-dependent metric tensors with spherical symmetry satisfying the Einstein-Maxwell equations in space-times with FLRW asymptotic behaviour are derived here for the first time. These geometries describe dynamical charged non-rotating…
The classical dynamics of a particle that is driven by a rapidly oscillating potential (with frequency $\omega$) is studied. The motion is separated into a slow part and a fast part that oscillates around the slow part. The motion of the…