Multiconfigurational quantum chemistry
Guardado en:
| Autores principales: | , , , , |
|---|---|
| Formato: | Libro |
| Lenguaje: | inglés |
| Publicado: |
Hoboken, New Jersey
Wiley
2016.
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| Materias: | |
| Acceso en línea: | Ver en el OPAC |
| Etiquetas: |
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MARC
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| 100 | 1 | |a Roos, Bj©œrn O. |e author | |
| 245 | 1 | 0 | |a Multiconfigurational quantum chemistry |c by Prof. Bj©œrn O. Roos, Roland Lindh, Per ©"ke Malmqvist, Valera Veryazov, Per-Olof Widmark. |
| 264 | 1 | |a Hoboken, New Jersey |b Wiley |c 2016. | |
| 300 | |a xiv, 224 pages |b illustrations |c 25 cm | ||
| 336 | |a text |2 rdacontent | ||
| 337 | |a unmediated |2 rdamedia | ||
| 338 | |a volume |2 rdacarrier | ||
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a 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. | |
| 650 | 0 | |a Quantum chemistry |v Textbooks. | |
| 700 | 1 | |a Lindh, Roland |d 1958- |4 aut | |
| 700 | 1 | |a Malmqvist, Per ©"ke, |d 1963- |4 aut | |
| 700 | 1 | |a Veryazov, Valera |d 1963- |4 aut | |
| 700 | 1 | |a Widmark, Per-Olof |d 1956- |4 aut | |
| 776 | 0 | 8 | |i Online version: |a Roos, B. O. (Björn O.), author. |t Multiconfigurational quantum chemistry |d Hoboken, New Jersey : John Wiley & Sons, 2016 |z 9781119277873 |w (DLC) 2016015079 |
| 906 | |a 7 |b cbc |c orignew |d 1 |e ecip |f 20 |g y-gencatlg | ||
| 910 | |a SCHK95 | ||
| 919 | |a 978-0-470-63346-5 | ||
| 925 | 0 | |a acquire |b 1 shelf copy |x policy default |e claim1 2016-10-06 | |
| 955 | |e rl02 2016-03-25 to Dewey |w xm06 2016-03-28 |f rl11 2016-11-15 to CALM | ||
| 985 | |a WaSeSSCIP |d 2016-03-22 | ||
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