Convergence of the gradient expansion in metallic surface-energy calculations
- 15 January 1977
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 15 (2) , 580-583
- https://doi.org/10.1103/physrevb.15.580
Abstract
The exchange contribution to the surface energy of a finite-barrier model (chosen to reproduce a physical density profile) is calculated for a Yukawa interparticle interaction. The above result is compared with the exchange contribution to the surface energy calculated from the gradient expansion and is found to give excellent agreement. This comparison gives a first clear assessment of the important question for the convergence rate of the gradient expansion in surface-energy calculations.Keywords
This publication has 27 references indexed in Scilit:
- Surface energy of jellium metalPhysical Review B, 1975
- Exchange-correlation in inhomogeneous systems— a comment on the surface energy problemSolid State Communications, 1975
- The exchange and correlation energy at a metal surfaceSolid State Communications, 1975
- The surface energy of a bounded electron gasJournal of Physics F: Metal Physics, 1974
- Plasmon theory of the surface energy of metals — II. Transition metalsSolid State Communications, 1972
- Dynamic Contributions to the Surface Energy of Simple MetalsPhysical Review B, 1972
- Linear Response of a Metal to an External Charge DistributionPhysical Review B, 1970
- Theory of Metal Surfaces: Charge Density and Surface EnergyPhysical Review B, 1970
- Dielectric Response of a Semi-Infinite Degenerate Electron GasPhysical Review B, 1970
- Calculations of Surface Energy for a Free-Electron MetalPhysical Review B, 1951