Related papers: Coupled Maxwell and Time-Dependent Orbital Free De…
Extensions of statistical mechanics are routinely being used to infer free energies from the work performed over single-molecule nonequilibrium trajectories. A key element of this approach is the ubiquitous expression dW/dt=\partial H(x,t)/…
Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic…
Recent interest in the "memory effect" prompted us to revisit the relation of gravitational aves and oscillators. 50 years ago Niederer [1] found that an isotropic harmonic oscillator with a constant frequency can be mapped onto a free…
We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite element bases. Our mesh generation scheme, in which structured…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
Dynamical tide consists of various waves that can resonate with orbital motion. We test this coupling of dynamical tide and orbital motion using a simple two-dimensional shallow water model, which can be applied to a rocky planet covered…
An analysis of the concept of orientation used in electrodynamics is presented. At least two different versions are encountered in the literature. Both are clearly identified and comparisons are made.
We investigate how the fixed-node diffusion Monte Carlo energy of solids depends on single-particle orbitals used in Slater--Jastrow wave functions. We demonstrate that the dependence can be significant, in particular in the case of 3d…
We formulate a time-dependent density-matrix functional theory (TDDMFT) approach for higher-order correlation effects like biexcitons in optical processes in solids based on the reduced two-particle density-matrix formalism within the…
Faithful representations of atomic environments and general models for regression can be harnessed to learn electron densities that are close to the ground state. One of the applications of data-derived electron densities is to orbital-free…
(abridged) Pulsar activity and its related radiation mechanism are usually explained by invoking some plasma processes occurring inside the magnetosphere. Despite many detailed local investigations, the global electrodynamics around those…
An analytical description of polymer melts and their mixtures as liquids of interacting soft colloidal particles is obtained from liquid-state theory. The derived center-of-mass pair correlation functions with no adjustable parameters…
Time-dependent structures often appear in differential geometry, particularly in the study of non-autonomous differential equations on manifolds. One may study the geodesics associated with a time-dependent Riemannian metric by extremizing…
Time-dependent current-density-functional theory (TDCDFT) provides an in principle exact scheme to calculate efficiently response functions for a very broad range of applications. However, the lack of approximations valid for a range of…
Using test-particle simulations, we investigate the temporal dependence of the two-point velocity correlation function for charged particles scattering in a time-independent spatially fluctuating magnetic field derived from a…
The paper deals with the problem of dynamics of externally driven open quantum systems. Using the path integral methods we found an analytical expression for time-dependent density matrix of two externally driven coupled quantum oscillators…
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
We investigate the possibility to deduce momentum space properties from time-dependent density functional calculations. Electron and ion momentum distributions after double ionization of a model Helium atom in a strong few-cycle laser pulse…