Title 



OrnsteinZernike function and Coulombic correlation in the homogeneous electron liquid
 
Author 



 
Abstract 



Adopting the original OrnsteinZernike (OZ) definition of the direct correlation function c(r), the present study deals with the deviation Delta(r) of c(r) induced by Coulomb correlation in the homogeneous electron liquid beyond the OZ function c(FH)(r) for purely Fermi hole (FH) statistical correlations. It is first stressed that Delta(r) at large r is proportional to the Coulomb potential energy e(2)/r, suitably scaled with the plasma frequency. Both r space and k space formulations are presented. In k space, direct numerical use is made of inequalities due to Kugler [Phys. Rev. A 1, 1688 (1970)] by employing analytic representations of the pair correlations due to GoriGiorgi [Phys. Rev. B 61, 7353 (2000)] as a function of the uniform electron density. Then, in r space, consideration is given to differential equations proposed by Dawson and March [Phys. Chem. Liq. 14, 131 (1984)] and also in the recent study of Nagy and Amovilli [J. Chem. Phys. 121, 6640 (2004)]. In both approaches, onebody potentials enter, into which Coulombic interelectronic repulsions are subsumed. Finally, Gaskell's [Proc. Phys. Soc. London 77, 1182 (1961)] variational groundstate wave function is shown to be related to the OZ direct correlation function in k space.   
Language 



English
 
Source (journal) 



Physical review B  
Publication 



2007
 
Volume/pages 



76:19(2007), p. 18
 
Article Reference 



195104
 
ISI 



000251326800039
 
Medium 



Eonly publicatie
 
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