Related papers: Extended phase-space symplectic integration for el…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…
It is shown how point charges and point dipoles with finite self-energies can be accomodated into classical electrodynamics. The key idea is the introduction of constitutive relations for the electromagnetic vacuum, which actually mirrors…
We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path…
Symplectic integrators are the preferred method of solving conservative $N$-body problems in cosmological, stellar cluster, and planetary system simulations because of their superior error properties and ability to compute orbital…
A system of reduced equations is proposed for the electron motion in the strongly-radiation dominated regime for an arbitrary electromagnetic field configuration. The developed approach is used to analyze various scenarios of an electron…
In this paper we study the performance of a symplectic numerical integrator based on the splitting method. This method is applied to a subtle problem i.e. higher order resonance of the elastic pendulum. In order to numerically study the…
In this study it is shown that the Tsallis q-extended statistical theory was found efficient to describe faithfully the space plasmas statistics in every case, from the planetic magnetospheres, to solar corona and solar dynamics, as well as…
Charged systems interacting via Coulomb forces can be efficiently simulated by introducing a local, diffusing degree of freedom for the electric field. This paper formulates the continuum electrodynamic equations corresponding to the…
We introduce a practical hybrid approach that combines orbital-free density functional theory (DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations. Equilibrated ionic configurations are generated using…
This paper summarizes the motivations and results obtained so far in the frame of a particular non-linearization of Classical Electrodynamics, which was called Extended Electrodynamics. The main purpose pursued with this non-linear…
Integrals of the Liouville $1$-form, known as the first Poincar\'e integral invariant, provide a computable figure of merit for monitoring the conservation of symplecticity in the numerical integration of Hamiltonian systems. These…
This paper deals with the relativistic, quantized electromagnetic and Dirac field equations in the arena of discrete phase space and continuous time. The mathematical formulation involves partial difference equations. In the consequent…
The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
A better understanding of interfacial mechanisms is needed to improve the performances of electrochemical devices. Yet, simulating an electrode surface at fixed electrolyte composition remains a challenge. Here we apply a finite electric…
In this article we investigate driven dissipative quantum dynamics of an ensemble of two-level systems given by a Markovian master equation with collective and non-collective dissipators. Exploiting the permutation symmetry in our model, we…
We introduce a simplified model of the electron-beam/plasma system to model the electrical breakdown caused by the inductive electric field created by a rapidly rising electron beam current. The rigid-beam model is a reduction to the…
Recent advances in laser technology enable to follow electronic motion at its natural time-scale with ultrafast pulses, leading the way towards atto- and femtosecond spectroscopic experiments of unprecedented resolution. Understanding of…
The accurate calculation of excited state properties of interacting electrons in the condensed phase is an immense challenge in computational physics. Here, we use state-of-the-art equation-of-motion coupled-cluster theory with single and…
We present here the first lattice simulation of symplectic quantization, a new functional approach to quantum field theory which allows to define an algorithm to numerically sample the quantum fluctuations of fields directly in Minkowski…