𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab-initio study of the structural, linear and nonlinear optical properties of CdAl2Se4 defect-chalcopyrite

✍ Scribed by T. Ouahrani; Ali H. Reshak; R. Khenata; B. Amrani; M. Mebrouki; A. Otero-de-la-Roza; V. Luaña


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
731 KB
Volume
183
Category
Article
ISSN
0022-4596

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio study of structural, elastic,
✍ M. Reffas; A. Bouhemadou; R. Khenata; T. Ouahrani; S. Bin-Omran 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 412 KB

Ab initio study of structural, elastic, electronic and optical properties of the cubic spinel oxide SnMg 2 O 4 has been reported using the pseudo-potential plane-wave method within the local density approximation and the gradient generalized approximation for the exchange and correlation potential.

AB initio molecular orbital studies of t
✍ Ratnakar K. Gosavi; Otto P. Strausz 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 347 KB

Molecular geometry optimization of % 'A, ground and several singlet and triplet excited states of SiCl, have been carried out at the RHF SCF level with 6-31G' basis set. For the ground 'Ai state, the computed bond length (R(Si-Cl) = 2.096 A), bond angle (KlSiCl = 101.19") and harmonic vibrational fr