Tight bound and convexity constraint on the exchange-correlation-energy functional in the low-density limit, and other formal tests of generalized-gradient approximations

1993 ◽  
Vol 48 (16) ◽  
pp. 11638-11645 ◽  
Author(s):  
Mel Levy ◽  
John P. Perdew
Keyword(s):  
Correlation Energy ◽  
Energy Functional ◽  
Low Density ◽  
Generalized Gradient ◽  
Tight Bound ◽  
Density Limit ◽  
Exchange Correlation ◽  
Convexity Constraint ◽  
Low Density Limit

GROUND-STATE ENERGY OF THE ELECTRON GAS WITH THE MODIFIED COULOMB POTENTIAL 1/rp

2011 ◽  
Vol 25 (15) ◽  
pp. 2019-2030
Author(s):  
LIANGJIE FU ◽  
YUAN CHEN
Keyword(s):  
Ground State Energy ◽  
Coulomb Potential ◽  
Ground State ◽  
State Energy ◽  
Correlation Energy ◽  
Electron Gas ◽  
High Density ◽  
Low Density ◽  
Density Limit ◽  
Low Density Limit

In this paper, due to the effect of positively-charged screening holes, Coulomb potential energy 1/r is modified to be 1/rp, which is assumed to deviate slightly from the former. Using many-body perturbation theory, we obtain a simple analytic representation of the ground-state energy and correlation energy for a uniform electron gas. Our results agree with those obtained by the numerical and semi-analytic methods at low-density limit. Higher ground-state energies at high-density limit are calculated from our model. High order r expansion terms are found at high-density region. A curve of transition density versus p is drawn via the Misawa spin-scaling relation, which is in consistent with Perdew's study at low-density limit.

Relativistic exchange-correlation energy functional: Gauge dependence of the no-pair correlation energy

1998 ◽  
Vol 58 (2) ◽  
pp. 993-1000 ◽  
Author(s):  
A. Facco Bonetti ◽  
E. Engel ◽  
R. M. Dreizler ◽  
I. Andrejkovics ◽  
H. Müller
Keyword(s):  
Correlation Energy ◽  
Pair Correlation ◽  
Energy Functional ◽  
Exchange Correlation ◽  
Gauge Dependence

Exchange-correlation energy functional based on the Airy-gas reference system

2009 ◽  
Vol 80 (3) ◽  
Author(s):  
Lucian A. Constantin ◽  
Adrienn Ruzsinszky ◽  
John P. Perdew
Keyword(s):  
Reference System ◽  
Correlation Energy ◽  
Energy Functional ◽  
Exchange Correlation
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