Related papers: The uniform electron gas
We use variational quantum Monte Carlo to calculate the density-functional exchange-correlation hole n_{xc}, the exchange-correlation energy density e_{xc}, and the total exchange-correlation energy E_{xc}, of several electron gas systems…
The dynamic charge susceptibility, $\chi(q,\omega)$, is a fundamental observable of all materials, in one, two, and three dimensions, quantifying the collective charge modes, the ability of a material to screen charge, as well as its…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
The electron-positive fermion gas in three dimensions and $T=0$ is modeled as two independent fermion gases interacting via the coulomb interaction. The main advantage of the simple model is that all existing results from the electron gas…
For the first time, the cumulant 2-body reduced density matrix (= 2-matrix) of the spin-unpolarized homogeneous electron gas (HEG) is considered. This $\gamma_{\rm c}$ proves to be the common source for both the momentum distribution $n(k)$…
We study the finite-temperature thermodynamics of a unitary Fermi gas. The chemical potential, energy density and entropy are given analytically with the quasi-linear approximation. The ground state energy agrees with previous theoretical…
We assess the utility of Hartree-Fock (HF) trial wavefunctions in performing phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) on the uniform electron gas (UEG) model. The combination of ph-AFQMC with spin-restricted HF…
The subject of this study is the exchange-correlation-energy functional of reduced density matrix functional theory. Approximations of this functional are tested by applying them to the homogeneous electron gas. We find that two…
We consider a system made up of N electrons interacting with a neutralizing positive background within a cubic box of volume V. After dividing the box into N (or N/2) cubic cells for the polarized (unpolarized) case, we average the creation…
We propose a simple analytic representation of the correlation energy for the two-dimensional electron gas, as a function of the density and the spin polarization. This new parametrization includes most of the known high- and low- density…
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…
The non-equilibrium statistical mechanics and kinetic theory for a model of a confined quasi-two-dimensional gas of inelastic hard spheres is presented. The dynamics of the particles includes an effective mechanism to transfer the energy…
The study of matter at extreme densities and temperatures as they occur in astrophysical objects and state-of-the art experiments with high-intensity lasers is of high current interest for many applications. While no overarching theory for…
This paper presents a detailed study of the polarizational stopping power of a homogeneous electron gas in moderate and strong coupling regimes using the self-consistent version of the method of moments as the key theoretical approach…
The break-down of the Born-Oppenheimer approximation is an important topic in chemical dynamics on metal surfaces. In this context, the most frequently used "work-horse" is electronic friction theory, commonly relying on friction…
We fit finite-temperature path integral Monte Carlo calculations of the exchange-correlation energy of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r_{s} = (3/4\pi n)^{1/3} a_{B}^{-1} < 40 and \Theta =…
The collective dynamics of nonlinear electron waves in an one-dimensional degenerate electron gas is treated using the Lagrangian fluid approach. A new class of solutions with a nontrivial space and time dependence is derived. Both…
Warm dense matter is one of the most active frontiers in plasma physics due to its relevance for dense astrophysical objects as well as for novel laboratory experiments in which matter is being strongly compressed e.g. by high-power lasers.…
Based on the calculation of the quasiequilibrium statistical sum by means of the functional integration method, we obtained a nonequilibrium statistical operator for the electron subsystem of a semibounded metal in the framework of the…
A simple approximate expression in real and reciprocal spaces is given for the static exchange-correlation kernel of a uniform electron gas interacting with the long-range part only of the Coulomb interaction. This expression interpolates…