@article{377, keywords = {paper}, author = {Maurizia Palummo and G Onida and Rodolfo Del Sole and M Corradini and Lucia Reining}, title = {Nonlocal density scheme for electronic-structure calculations}, abstract = {An exchange-correlation energy functional beyond the local-density approximation (LDA), based on the exchange-correlation kernel of the homogeneous electron gas and originally introduced by Kohn and Sham, is considered for electronic-structure calculations of semiconductors and atoms. Calculations are carried out for diamond, silicon, silicon carbide, and gallium arsenide. The lattice constants and gaps show a small improvement with respect to the LDA results. However, the corresponding corrections to the total energy of the isolated atoms are not large enough to yield a substantial improvement for the cohesive energy of solids, which remains hence overestimated as in the LDA. [S0163-1829(99)01940-2].}, year = {1999}, journal = {Phys. Rev. B}, volume = {60}, number = {16}, pages = {11329-11335}, month = {OCT 15}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, }