𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Elastic constants and bulk modulus of semiconductors: Performance of plane-wave pseudopotential and local-density-approximation density functional theory

✍ Scribed by Jiajin Tan; Ying Li; Guangfu Ji


Book ID
116376194
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
242 KB
Volume
58
Category
Article
ISSN
0927-0256

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The relative performance of the local de
✍ Mark R. Bray; Robert J. Deeth; Veronica J. Paget; Paul D. Sheen πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 157 KB πŸ‘ 2 views

Optimized metal᎐ligand M᎐L bond lengths for 17 classical Werner-type transition-metal Ž . complexes were calculated using the local density approximation LDA and a gradient-Ž . ## corrected GC extension. GCs lengthen the bonds by between 0.02 and 0.09 A relative to ˚the LDA results. The latter ran