2003/05/13 by B. Davoudi, Reza Asgari, R. Asgari +3 · 1 citation
Chemistry · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemistry #Electron #Fermi gas #Ground state #Mathematical physics #Mathematics #Monte Carlo method #Physics #Physics of Superconductivity and Magnetism #Polarization (electrochemistry) #Quantum Monte Carlo #Quantum and electron transport phenomena #Quantum mechanics #Sigma #Spin (aerodynamics) #Spin polarization #Thermodynamics #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.68.155112
published as Phys. Rev. B 68, 155112 (2003) · 13 pages, 8 figures, submitted to Phys. Rev. B
arxiv created 2003/05/13 · openalex publication_date 2003/10/17 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We present an analytic theory of the spin-resolved pair distribution functions g_\ensuremathσ\ensuremathσ^\ensuremath'(r) and the ground-state energy of an electron gas with an arbitrary degree of spin polarization. We first use the Hohenberg-Kohn variational principle and the von Weizs"acker-Herring ideal kinetic-energy functional to derive a zero-energy scattering Schr"odinger equation for √g_\ensuremathσ\ensuremathσ^\ensuremath'(r). The solution of this equation is implemented within a Fermi-hypernetted-chain approximation which embodies the Hartree-Fock limit and is shown to satisfy an important set of sum rules. We present numerical results for the ground-state energy at selected values of the spin polarization and for g_\ensuremathσ\ensuremathσ^\ensuremath'(r) in both a paramagnetic and a fully spin-polarized electron gas, in comparison with the available data from quantum Monte Carlo studies over a wide range of electron density.