Assessment of a Coulomb-attenuated exchange–correlation energy functional
✍ Scribed by Peach, Michael J. G. ;Helgaker, Trygve ;Sałek, Paweł ;Keal, Thomas W. ;Lutnæs, Ola B. ;Tozer, David J. ;Handy, Nicholas C.
- Book ID
- 120064500
- Publisher
- Royal Society of Chemistry
- Year
- 2006
- Tongue
- English
- Weight
- 526 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1463-9076
- DOI
- 10.1039/B511865D
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📜 SIMILAR VOLUMES
A nonlocal correlation energy density functional based on the approximation of a model Coulomb hole is presented. The functional is constructed to describe both the homogeneous electron gas and nonuniform systems. In the nonuniform case, the functional satisfies all uniform, as well as most nonunifo
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