The exchange energy in the local Airy gas approximation
نویسنده
چکیده
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
منابع مشابه
Local Field Correction Effect on Dicluster Stopping Power in a Strongly Coupled Two-Dimensional Electron Gas System
We calculate the stopping power for heavy-ion diclusters moving in a strongly coupled two-dimensional electron gas system by using the local field corrected dielectric function at finite temperature. We obtain a parameterized local field correction factor based on a relation between the thermal compressibility and exchange-correlation energy in two-dimension. The interpolated parameter is deriv...
متن کاملHeat Transfer Characteristics of Porous Radiant Burners Using Discrete-Ordinate Method (S2-Approximation)
This paper describes a theoretical study to investigate the heat transfer characteristics of porous radiant burners. A one dimensional model is used to solve the governing equations for porous medium and gas flow before the premixed flame to the exhaust gas. Combustion in the porous medium is modeled as a spatially dependent heat generation zone. The homogeneous porous media, in addition to its...
متن کاملبررسی خواص ساختاری و الکترونی بلورCaS
The electronic and structural properties of CaS are calculated using full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA) and generalized gradient approximation (GGA) for the exchange-correlation energy. For both structures, NaCl structure (B1) and CsCl structure (B2), the obtained values for lattice parameters, Bulk modulus and its pres...
متن کامل