Title 



Exchange potential via functional differentiation of the Dirac idempotent density matrix
 
Author 



 
Abstract 



Following two illustrative examples, a quite general form for the functional derivative of the Dirac density matrix gamma(r(1),r(2)) with respect to the electron density rho(r) is proposed. In turn, this functional derivative is related to a further threepoint object, which reduces to the linear response function chi(0)(r(1),r) when r(2) tends to r(1). The main application is then to derive the exchangeonly potential of density functional theory. To avoid heavy numerical work in molecules and clusters, an approximation is suggested, with major calculational simplifications as a probable consequence.   
Language 



English
 
Source (journal) 



Physical review : A : atomic, molecular and optical physics.  Lancaster, Pa, 1990  2015  
Publication 



Lancaster, Pa : 2004
 
ISSN 



10941622 [online]
10502947 [print]
 
Volume/pages 



69:6(2004), 4 p.
 
Article Reference 



064101
 
ISI 



000222471400120
 
Medium 



Eonly publicatie
 
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