Electron Gas Subroutines
3D electron gas


Couplingconstantaveraged xchole (all rs, all spin polarizations)  

P. GoriGiorgi and J. P. Perdew  Phys. Rev. B 66, 165118 (2002) 
Pair distribution function of the spinpolarized electron gas: A firstprinciples analytic model for all uniform densities  f77 subroutine 


Momentum Distribution (unpolarized, rs < 12)  
P. GoriGiorgi 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 


Spinresolved correlation energy (all rs, all spin polarizations) 

P. GoriGiorgi and J.P. Perdew  Phys. Rev. B 69, 041103(R) (2004) 
Spin resolution of the electrongas correlation energy: Positive same spin contributions  f77 subroutine 


SpinresolvedĀ correlation hole and static structure factor (unpolarized, 0.8 < rs < 10) 

P. GoriGiorgi, F. Sacchetti and G.B. Bachelet  Phys. Rev. B 61, 7353 (2000), erratum 
Analytic structure factors and paircorrelation functions for the unpolarized homogeneous electron gas  f77 subroutine 


Shortrangeonly correlation energy – interaction erfc(a r)/r (unpolarized, all densities) 

L. Zecca, P. GoriGiorgi, S. Moroni, and G.B. Bachelet  Phys. Rev. B 70, 205127 (2004) 
Local density functional for the shortrange part of the electronelectron interaction  f77 subroutine 


Shortrange (complementary) LSD functional and potentials (all spin polarizations, all rs) 

S. Paziani, S. Moroni, P. GoriGiorgi, and G.B. Bachelet  Phys. Rev. B 73, 155111 (2006) 
Localspindensity 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. GoriGiorgi, 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. GoriGiorgi, C. Attaccalite, S. Moroni, and G.B. Bachelet  Int. J. Quantum Chem. 91, 126 (2003) 
Twodimensional electron gas: correlation energy versus density and spin polarization  f77 subroutine 


Paircorrelation functions (rs < 40, all spin polarizations)  
P. GoriGiorgi, S. Moroni, and G.B. Bachelet  Phys. Rev. B 70, 115102 (2004) 
Pairdistribution functions of the twodimensional electron gas  f77 subroutine 

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