Cohesive energy and theP Vrelation for fcc neon in two variants of theXαmodel

Abstract
The cohesive energy and associated PV relation for fcc neon have been calculated in the muffin-tin approximation via the augmented-plane-wave statistical-exchange (APWXα) method. Exchange parameters of 0.72997 (Schwarz's αVT), 0.66667 (the Kohn-Sham-Gaspar value) and 0.500 were used. In all cases, the static lattice is significantly overbound, the amount of overbinding lessening with decreasing α. The introduction of a simple radial independence (α=0.7772 for r<rc, α=23 for r>rc with rc some suitable change point inside the APW sphere) into the model does not cure the overbinding.