Proposed approximate relation in inhomogeneous electron liquids between exchange-only potential and its Slater counterpart

Abstract

We consider here exchange-only density functional theory. The search for the exchange-only potential V _x (r) involves either the optimal effective potential, or as an approximate alternative, calculating corrections to the Slater (Sl) potential  = 2e _x (r)/n(r), e _x (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 V _x (r) is an important element in the present proposal.

Keywords:

• exchange-only potential
• Slater form
• correlation corrections

Acknowledgements

Á. Nagy acknowledges grant OTKA No. K 67923.