Multiconfigurational quantum chemistry by Prof. Bj©œrn O. Roos, Roland Lindh, Per ©"ke Malmqvist, Valera Veryazov, Per-Olof Widmark.
Material type: TextPublisher: Hoboken, New Jersey Wiley 2016Description: xiv, 224 pages illustrations 25 cmContent type:- text
- unmediated
- volume
- 9780470633465 (cloth)
Item type | Current library | Collection | Call number | Status | Date due | Barcode | |
---|---|---|---|---|---|---|---|
Nevypožičateľné | Knižnica chemickej fyziky (XIII) | Zahraničná kúpa | schkA2019/102382 | Not for loan | schkA2019/102382 |
Includes bibliographical references and index.
Mathematical background -- Molecular orbital theory -- Hartree-Fock theory -- Relativistic effects -- Basis sets -- Second quantization and multiconfigurational wave functions -- Electron correlation -- Multiconfigurational SCF theory -- The RAS State-Interaction method -- The multireference CI method -- Multi-configurational reference perturbation theory -- CASPT2/CASSCF applications.