Cohesive energy and therelation for fcc neon in two variants of themodel
- 15 May 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 11 (10) , 3658-3661
- https://doi.org/10.1103/physrevb.11.3658
Abstract
The cohesive energy and associated relation for fcc neon have been calculated in the muffin-tin approximation via the augmented-plane-wave statistical-exchange () method. Exchange parameters of 0.72997 (Schwarz's ), 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 . The introduction of a simple radial independence ( for , for with some suitable change point inside the APW sphere) into the model does not cure the overbinding.
Keywords
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