Proposed approximate relation in inhomogeneous electron liquids between exchange-only potential and its Slater counterpart
Faculty of Sciences. Physics
Physics and chemistry of liquids. - London
, p. 648-651
University of Antwerp
We consider here exchange-only density functional theory. The search for the exchange-only potential Vx(r) involves either the optimal effective potential, or as an approximate alternative, calculating corrections to the Slater (Sl) potential GPCH_A_465167_O_XML_IMAGES\GPCH_A_465167_O_ILM0001.gif = 2ex(r)/n(r), ex(r) and n(r) being, respectively, the exchange energy density due to Dirac and the ground-state electron density. The Levy-Perdew virial-like integral relation between the total exchange energy and the gradient of Vx(r) is an important element in the present proposal.