Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas
نویسندگان
چکیده
We propose a simple and accurate model for the electron static structure factors ~and corresponding paircorrelation functions! of the three-dimensional unpolarized homogeneous electron gas. Our spin-resolved paircorrelation function is built up with a combination of analytic constraints and fitting procedures to quantum Monte Carlo data, and, in comparison to previous attempts, ~i! fulfills more known integral and differential properties of the exact pair-correlation function, ~ii! is analytic both in real and in reciprocal space, and ~iii! accurately interpolates the newest, extensive diffusion–Monte Carlo data of Ortiz, Harris, and Ballone @Phys. Rev. Lett. 82, 5317 ~1999!#. This can be of interest for the study of electron correlations of real materials and for the construction of new exchange and correlation energy density functionals.
منابع مشابه
Many-body effects in a two-component, one-dimensional electron gas with repulsive, short-range interactions
We investigate the correlation effects in a two-component, one-dimensional electron gas interacting via repulsive 6 function interactions. Electron correlations are treated within the approximation scheme of Singwi, Tosi, Land, and SjGlander (STLS) which yields analytical expressions for the local-field corrections. The static structure factors, pair distribution functions, collective excitatio...
متن کاملPath-integral Monte Carlo simulation of the warm dense homogeneous electron gas.
We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r(s) ≡ (3/4πn)(1/3)a(0)(-1) = 1.0-40.0 and Θ ≡ T/T(F) = 0.0625-8.0) using restricted path-integral Monte Carlo simulations. Precise energies, pair correlation functions, and structure factors are obtained. For all densities, we find a significant discrepancy between the ground state parametri...
متن کاملQuantum Monte Carlo study of a positron in an electron gas.
Quantum Monte Carlo calculations of the relaxation energy, pair-correlation function, and annihilating-pair momentum density are presented for a positron immersed in a homogeneous electron gas. We find smaller relaxation energies and contact pair-correlation functions in the important low-density regime than predicted by earlier studies. Our annihilating-pair momentum densities have almost zero...
متن کاملSelf-Consistent Local-Field Corrections and Structure Factors in a Spin-Polarized Electron Gas
We investigated self-consistent spin-resolved local-field corrections in a spin-polarized electron gas. The local-field corrections, structure factors, and susceptibility functions form a self-consistent loop. Three different local-field corrections and structure factors each based on the Hartree-Fock structure factor, the Gori-Giorgi–Perdew pair correlation function, and self-consistent calcul...
متن کاملSpin-dependent correlation in a two-dimensional electron gas: Finite temperature effects
Using the Singwi–Tosi–Land–Sjolander theory, we have studied the many-body effects in the two-dimensional electron gas with arbitrary polarization at finite temperatures. We have calculated the structure factors, pair correlation functions, local-field factors and the Helmholtz free energy for different values of spin polarization, temperature and density parameter. We have shown that the spin ...
متن کامل