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ANÁLISIS ALL-ELECTRON DE LA ESTRUCTURA ELECTRÓNICA DEL ThO Y UO EN LA APROXIMACIÓN TB-LMTO-ASA.

We report the electronic structure of the crystalline solids UO and ThO using the TB-LMTO-ASA (Tight- Binding-Linear Muffin-Tin Orbitals-Atomic Sphere Approximation) into the framework of the density functionals (DFT) theory. Their optimal geometry were obtained using the ultrasoft pseudopotentials....

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Published in:Revista Cubana de Física Vol. 22; no. 2; pp. 136 - 142
Main Authors: Anota, E. Chigo, Silva, J. F. Rivas
Format: Article
Published: Universidad de La Habana 2005
Subjects:
Electronic structure
Crystals
Uranium oxides
Thorium
Density functionals
Online Access:View this record in EBSCOhost