1 research outputs found
Exchange energy in the local Airy gas approximation
The Airy gas model of the edge electron gas is used to construct an exchange-energy functional which is an alternative to those obtained in the local density and generalized gradient approximations. Test calculations for rare gas atoms, molecules, solids and surfaces show that the Airy gas functional performs better than the local density approximation in all cases and better than the generalized gradient approximation for solids and surfaces. Typeset using REVTEX 1 Since the pioneering papers on density functional theory (DFT) [1,2] there has been a constant search for exchange-correlation functionals of chemical accuracy. This includes the works on the generalized gradient approximation (GGA) [3–7] which are dedicated efforts to construct local functionals for inhomogeneous systems ranging from atoms to solids based on the uniform electron gas, i.e., the local density approximation (LDA), and density gradient corrections, as well as the development of a number gradien