𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Accurate determination of band gaps within density functional formalism

✍ Scribed by Singh, Prashant; Harbola, Manoj K.; Sanyal, Biplab; Mookerjee, Abhijit

Book ID
120434278
Publisher
The American Physical Society
Year
2013
Tongue
English
Weight
578 KB
Volume
87
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Density-functional theory of the band ga
Density-functional theory of the band gap
✍ Sham, L. J.; SchlΓΌter, M. πŸ“‚ Article πŸ“… 1985 πŸ› The American Physical Society 🌐 English βš– 410 KB
Design of low band gap polymers employin
Design of low band gap polymers employing density functional theory?hybrid functionals ameliorate band gap problem
✍ Salzner, U.; Lagowski, J. B.; Pickup, P. G.; Poirier, R. A. πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 224 KB

Band gaps in solids and excitation energies in finite systems are underestimated significantly if estimated from differences between eigenvalues Ε½ . obtained within the local spin density approximation LSDA . In this article we present results on 20 small-and medium-sized -systems which show that HO