Quantum chemistry of solids : LCAO Treatment of crystals and nanostructures
Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems an...
Guardat en:
| Autor principal: | |
|---|---|
| Format: | Livre numérique |
| Idioma: | Anglais |
| Publicat: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Edició: | 2nd ed. 2012. |
| Col·lecció: | Springer Series in Solid-State Sciences
153 |
| Accés en línia: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Nota: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Quantum chemistry of solids, LCAO treatment of crystals and nanostructures, Robert A. Evarestov, 2nd ed., Berlin, Springer, 2012, 1 vol. (xviii-734 p.), Springer series in solid-state sciences, 978-3-642-30355-5 • Quantum chemistry of solids, LCAO treatment of crystals and nanostructures, Robert A. Evarestov, 2nd ed., Berlin, Springer, 2012, 1 vol. (xviii-734 p.), Springer series in solid-state sciences, 978-3-642-30355-5 • Quantum Chemistry of Solids, Texte imprimé, 9783642303579 • Quantum Chemistry of Solids, Texte imprimé, 9783642430411 • Quantum Chemistry of Solids, Texte imprimé, 9783662600719 • Quantum chemistry of solids, LCAO treatment of crystals and nanostructures, Robert A. Evarestov, 2nd ed., Berlin, Springer, 2012, 1 vol. (xviii-734 p.), Springer series in solid-state sciences, 978-3-642-30355-5 • Quantum Chemistry of Solids, Texte imprimé, 9783642303579 • Quantum Chemistry of Solids, Texte imprimé, 9783642430411 • Quantum Chemistry of Solids, Texte imprimé, 9783662600719 |
Taula de continguts:
- Space Groups and Crystalline Structures Symmetry and Localization of Crystalline Orbitals Hartree Fock LCAO Method for Periodic Systems Electron Correlations in Molecules and Crystals Semi-empirical LCAO Methods for Molecules and Periodic Systems Kohn Sham LCAO Method for Periodic Systems Basis Sets and Pseudopotentials in Periodic LCAO Calculations LCAO Calculations of Perfect-Crystal Properties Modeling and LCAO Calculations of Point Defects in Crystals Surface Modeling in LCAO Calculations of Metal Oxides LCAO Calculations on Uranium Nitrides and Oxides Symmetry and Modeling of BN, TiO2 and SrTiO3 Nanotubes