Wave-vector analysis of metallic surface energy

Abstract

The exchange and correlation energy of a nonuniform electronic system can be decomposed into contributions of different wave-vector fluctuations. Both the long- and short-wavelength contributions to this energy can be properly handled. A possible approach for the intermediate region is to interpolate between these two limits. The authors examine this interpolation scheme within the infinite-barrier model, as it applies to surface-energy calculations. Their study suggests that such schemes are inadequate for the treatment of this intermediate region