相关论文: The cell-centered Finite-Volume self-consistent ap…
It is shown that, for a large class of statistical mixtures, the Wigner-Poisson (or Hartree) system can be reduced to an effective Schroedinger-Poisson system, in which the Schroedinger equation contains a new nonlinearity. For the case of…
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…
The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schroedinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schroedinger…
The density functional approach in the Kohn-Sham approximation is widely used to study properties of many-electron systems. Due to the nonlinearity of the Kohn-Sham equations, the general self-consistence searching method involves…
An implicit Euler finite-volume scheme for a spinorial matrix drift-diffusion model for semiconductors is analyzed. The model consists of strongly coupled parabolic equations for the electron density matrix or, alternatively, of weakly…
We describe and test a family of new numerical methods to solve the Schrodinger equation in self-gravitating systems, e.g. Bose-Einstein condensates or 'fuzzy'/ultra-light scalar field dark matter. The methods are finite-volume Godunov…
We propose an energy-stable parametric finite element method (ES-PFEM) for simulating solid-state dewetting of thin films in two dimensions via a sharp-interface model, which is governed by surface diffusion and contact line (point)…
In this work, we introduce an original self-consistent scheme based on the one-body reduced density matrix ($\gamma$) formalism. A significant feature of this methodology is the utilization of an optimal unitary transformation of the…
The uniform electron gas (UEG) at finite temperature is of key relevance for many applications in dense plasmas, warm dense matter, laser excited solids and much more. Accurate thermodynamic data for the UEG are an essential ingredient for…
Saint-Venant equations can be generalized to account for a viscoelastic rheology in shallow flows. A Finite-Volume discretization for the 1D Saint-Venant system generalized to Upper-Convected Maxwell (UCM) fluids was proposed in [Bouchut \&…
We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…
We consider a two-dimensional gas of interacting fermions in presence of an external constant magnetic field: the system is extended and homogeneous, and thus assumed to be invariant under magnetic translations. Working within the…
The uniform electron gas (UEG) at finite temperature is of key relevance for many applications in the warm dense matter regime, e.g. dense plasmas and laser excited solids. Also, the quality of density functional theory calculations…
In this paper, we propose a discretization for the (nonlinearized) compressible Stokes problem with a linear equation of state $\rho=p$, based on Crouzeix-Raviart elements. The approximation of the momentum balance is obtained by usual…
In this paper, we examine the properties of the solutions obtained by the Schwinger-Dyson equation (SDE). As a simple example, we consider a two-dimensional model including four-fermion interaction. It is shown that when this model is…
This paper describes an all-electron implementation of the self-consistent GW (sc-GW) approach -- i.e. based on the solution of the Dyson equation -- in an all-electron numeric atom-centered orbital (NAO) basis set. We cast Hedin's…
We show convergence of a cell-centered finite volume discretization for linear elasticity. The discretization, termed the MPSA method, was recently proposed in the context of geological applications, where cell-centered variables are often…
We present a comprehensive analysis of the two-dimensional uniform electron gas (2D-UEG or more commonly 2DEG) at finite temperature, spanning a broad range of densities / coupling strengths ($0.01\le{r}_s\le20$) and temperatures /…
We discuss the theory and implementation of the finite temperature coupled cluster singles and doubles (FT-CCSD) method including the equations necessary for an efficient implementation of response properties. Numerical aspects of the…
Recently a number of theoretical studies of the uniform electron gas (UEG) at finite temperature have appeared that are of relevance for dense plasmas, warm dense matter and laser excited solids and thermodynamic density functional theory…