Premium
A New Correlation Energy Interpolation Functional for Many‐Electron Systems in the Homogeneous Electron Gas Model. The Ratio of Paramagnetic and Ferromagnetic State Energies versus Gas Density
Author(s) -
Gritsenko O. V.,
Zhidomirov G. M.
Publication year - 1986
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221380117
Subject(s) - fermi gas , electron , ferromagnetism , paramagnetism , interpolation (computer graphics) , homogeneous , physics , electron density , atomic physics , condensed matter physics , chemistry , statistical physics , quantum mechanics , motion (physics) , classical mechanics
An interpolation method is suggested to calculated the correlation energies ϵ c P {ϱ} and ϵ c F {ϱ} of para‐ and ferromagnetic states of an homogeneous electron gas of any density ϱ. The functions ϵ c P {ϱ} and ϵ c F {ϱ} plotted in this method reproduce an exact dependence of correlation energy on gas, ϱ, in the limits within ϱ → infin; and ϱ → 0, as well as the empiric correlation energies of atoms. With the obtained functions, ϵ c Pand ϵ c F , the possibility of appearance and suppression of ferromagnetism when varying the density of electron gas is investigated. Paramagnetic susceptibility of gas as a function of ϱ is calculated, and the results obtained are compared with the experimental data for Na and K.