DENSITY-FUNCTIONAL STUDY OF ATOMIC ELECTRON-AFFINITIES USING A NONLOCAL EXCHANGE AND A LOCAL CORRELATION FUNCTIONAL

We present in this work self-consistent density functional theory (DFT ) calculations on atomic electron affinities performed with nonlocal e xchange and a local Coulomb correlation functionals. The exchange func tionals are the weighted spin-density approximation (WSDA) symmetrized following the ideas of Przybylski and Borstel (PB) and the WSDA funct ional derived from the potential of the latter using the Levy-Perdew ( LP) formula. This symmetrization procedure leads to the proper asympto tic behavior of the exchange-correlation potential and, as a consequen ce, to a good description of the loosely bound extra electron of the n egative ion. (C) 1997 John Wiley & Sons, Inc.