Abstract
We show that if one uses a screened Coulomb potential V(K)=4π/(+) to calculate , the exchange-energy density-functional gradient expansion coefficient, one obtains Sham’s result if one takes K→0 before taking →0. The exchange energy is by its very definition an unscreened quantity so that the correct order of the limits is →0 before K→0, in which case =1.42. .AE
- Received 16 September 1987
DOI:https://doi.org/10.1103/PhysRevB.37.4634
©1988 American Physical Society