Correlation-energy functional and its high-density limit obtained from a coupling-constant perturbation expansion

1993 ◽  
Vol 47 (20) ◽  
pp. 13105-13113 ◽  
Author(s):  
Andreas Görling ◽  
Mel Levy
Keyword(s):  
Correlation Energy ◽  
Perturbation Expansion ◽  
Energy Functional ◽  
High Density ◽  
Coupling Constant ◽  
Density Limit

scholarly journals Correlation energy of two electrons in the high-density limit

2009 ◽  
Vol 131 (24) ◽  
pp. 241101 ◽  
Author(s):  
Pierre-François Loos ◽  
Peter M. W. Gill
Keyword(s):  
Correlation Energy ◽  
High Density ◽  
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.

A Combination of the Work Formalism for Exchange with an Optimized Correlation Energy Functional for Atoms

1995 ◽  
Vol 5 (9) ◽  
pp. 1277-1287 ◽  
Author(s):  
N. A. Cordero ◽  
K. D. Sen ◽  
J. A. Alonso ◽  
L. C. Balbás
Keyword(s):  
Correlation Energy ◽  
Energy Functional

Exchange-Correlation Energy Densities and Response Potentials: Connection Between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond

2019 ◽  
Author(s):  
S. Giarrusso ◽  
Paola Gori-Giorgi
Keyword(s):  
Density Functional Theory ◽  
Strong Coupling ◽  
Density Functional ◽  
Correlation Energy ◽  
Order Term ◽  
Strong Coupling Limit ◽  
Local Form ◽  
Coupling Constant ◽  
Functional Theory ◽  
Exchange Correlation

We analyze in depth two widely used definitions (from the theory of conditional probablity amplitudes and from the adiabatic connection formalism) of the exchange-correlation energy density and of the response potential of Kohn-Sham density functional theory. We introduce a local form of the coupling-constant-dependent Hohenberg-Kohn functional, showing that the difference between the two definitions is due to a corresponding local first-order term in the coupling constant, which disappears globally (when integrated over all space), but not locally. We also design an analytic representation for the response potential in the strong-coupling limit of density functional theory for a model single stretched bond.<br>

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
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