White and Bird's formulation of gradient-corrected exchange-correlation potentials applied to atoms (Q1372020)

The authors discuss the application of the White-Bird method (WBM) which has important computational advantages compared with the generalized gradient approximation method, to solid state electronic structure calculations. The main purpose of the paper is to demonstrate how the WBM can be applied in numerical calculations where no basis functions are used and the charge density is known only on a set of unequally spaced mesh points, and to show the accuracy of the method. The neon atom is used as a computational example.