Local exchange and correlation potentials for electron scattering at solid surfaces
β Scribed by M.S. Woolfson; S.J. Gurman; B.W. Holland
- Publisher
- Elsevier Science
- Year
- 1982
- Weight
- 75 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0167-2584
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π SIMILAR VOLUMES
A new non-local exchange energy functionalE,[ n] is developed within the weighted density approximation (WDA) and a local Coulomb correlation energy functional EJn] is developed within the local density approximation (LDA) for the calculation of ground state energies. Both fimctionals include novel
In this paper we consider the semi-infinite jellium and structureless pseudopotential models of a metal surface and derive the exact analytical asymptotic structure in the classically forbidden region of (i) the Slater exchange potential V s x (r), (ii) the Kohn Sham exchange potential & x (r), and