Abstract
A scheme of approximation of the Kohn-Sham exchange potential is proposed, making use of a partitioning of into the long-range Slater and the short-range response components. A model potential has been derived from dimensional arguments. It possesses the proper short-range behavior and the atomic-shell stepped structure characteristic for . When combined with the accurate , provides an excellent approximation to the exchange potential of the optimized potential model . With the generalized-gradient approximation to provides an efficient density-functional-theory approach that fits closely the form of the accurate exchange potential and yields reasonably accurate exchange and total energies as well as the energy of the highest occupied orbital.
- Received 19 September 1994
DOI:https://doi.org/10.1103/PhysRevA.51.1944
©1995 American Physical Society