Quantum Matter in Chemistry & Physics

3D electron gas

Coupling-constant-averaged exchange-correlation hole (all densities, 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 (up-up, down-down, up-down) correlation energy (all densities, 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-resolved (up-up and up-down) 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(ar)/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

Multideterminant exchange-correlation LSD functional and potentials (all spin polarizations, all densities) 

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 densities, 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 densities, 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