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| Document Type: | Book |
|---|---|
| All Authors / Contributors: |
R A Ėvarestov |
| ISBN: | 9783540487463 3540487468 |
| OCLC Number: | 77541315 |
| Notes: | "With 78 figures and 126 tables." |
| Description: | xiv, 557 p. : ill. ; 24 cm. |
| Contents: | Space groups and crystalline structures -- Symmetry and localization of crystalline orbitals -- Hartree-Fock LCAO method for periodic systems -- Electron correlations in molecules and crystals -- Semiempirical 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. |
| Series Title: | Springer series in solid-state sciences, 153 |
| Responsibility: | Robert A. Evarestov. |
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