Electron Gas Subroutines

3D electron gas


Coupling-constant-averaged xc-hole (all rs, all spin polarizations)
P. Gori-Giorgi and J. P. Perdew Phys. Rev. B 66, 165118 (2002)
Pair distribution function of the spin-polarized electron gas: A first-principles analytic model for all uniform densities f77 subroutine

Momentum Distribution (unpolarized, rs < 12)
P. Gori-Giorgi and P. Ziesche Phys. Rev. B 66, 235116 (2002)
Momentum distribution of the uniform electron gas: improved parametrization and exact limits of the cumulant expansion f77 subroutine

Spin-resolved correlation energy
(all rs, all spin polarizations)
P. Gori-Giorgi and J.P. Perdew Phys. Rev. B 69, 041103(R) (2004)
Spin resolution of the electron-gas correlation energy: Positive same spin contributions f77 subroutine

Spin-resolvedĀ  correlation hole and static structure factor
(unpolarized, 0.8 < rs < 10)
P. Gori-Giorgi, F. Sacchetti and G.B. Bachelet Phys. Rev. B 61, 7353 (2000),
erratum
Analytic structure factors and pair-correlation functions for the unpolarized homogeneous electron gas f77 subroutine

Short-range-only correlation energy – interaction erfc(a r)/r
(unpolarized, all densities)
L. Zecca, P. Gori-Giorgi, S. Moroni, and G.B. Bachelet Phys. Rev. B 70, 205127 (2004)
Local density functional for the short-range part of the electron-electron interaction f77 subroutine

Short-range (complementary) LSD functional and potentials
(all spin polarizations, all rs)
S. Paziani, S. Moroni, P. Gori-Giorgi, and G.B. Bachelet Phys. Rev. B 73, 155111 (2006)
Local-spin-density functional for multideterminant density functional theory f77 subroutine



2D electron gas


Correlation energy and spin susceptibility (all rs, all spin polarizations)
C. Attaccalite, S. Moroni, P. Gori-Giorgi, and G.B. Bachelet Phys. Rev. Lett. 88, 256601 (2002),
erratum
Correlation Energy and Spin Polarization in the 2D Electron Gas f77 subroutine

LSD correlation potential (all rs, all spin polarizations)
P. Gori-Giorgi, C. Attaccalite, S. Moroni, and G.B. Bachelet Int. J. Quantum Chem. 91, 126 (2003)
Two-dimensional electron gas: correlation energy versus density and spin polarization f77 subroutine

Pair-correlation functions (rs < 40, all spin polarizations)
P. Gori-Giorgi, S. Moroni, and G.B. Bachelet Phys. Rev. B 70, 115102 (2004)
Pair-distribution functions of the two-dimensional electron gas f77 subroutine

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