𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Non-local density functional theory for the electronic and structural properties of semiconductors

✍ Scribed by Mark S. Hybertsen; Steven G. Louie


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
374 KB
Volume
51
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Density functional study of structural a
✍ Sunder Veliah; Ravindra Pandey; Y.S. Li; John M. Newsam; Behnam Vessal πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 286 KB

The structural and electronic properties of neutral cube-like MgO clusters comprising of 8, 18, 32, 48 and 64 atoms have been studied using density functional theory. Geometry optimization of all these stoichiometric clusters was done with C2v symmetry. The binding energy and the nearest-neighbor se

Non-local exchange and local Coulomb cor
✍ O.V. Gritsenko; A. Rubio; L.C. BalbΓ‘s; J.A. Alonso πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 487 KB

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