详细书目
| 文件类型: | 书 |
|---|---|
| 所有的著者/提供者: |
R A Ėvarestov |
| ISBN: | 9783540487463 3540487468 3642080227 9783642080227 |
| OCLC号码: | 77541315 |
| 注意: | "With 78 figures and 126 tables." |
| 描述: | xiv, 557 p. : ill. ; 24 cm. |
| 内容: | 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. |
| 丛书名: | Springer series in solid-state sciences, 153. |
| 责任: | Robert A. Evarestov. |
标签
添加标签 目的是为 "Quantum chemistry of solids : the LCAO first principles treatment of crystals".
争取是第一个!
