| Description |
xvii, 262 pages : illustrations ; 26 cm |
| Series |
Wiley series in theoretical chemistry |
|
Wiley series in theoretical chemistry.
|
| Contents |
Pt. I. Theoretical Background of AB Initio Calculations. 1. Quantum Mechanical Basics. 2. SCF Calculations. 3. The Electron Correlation. 4. Relativistic Effects. 5. Normal Coordinates and Frequency Analysis. 6. Population Analysis. 7. Basis Sets -- Pt. II. Applied Computational Quantum Chemistry. 8. Group 1. 9. Group 2. 10. Group 13. 11. Group 14. 12. Group 15. 13. Group 16. 14. Group 17. 15. Group 18 -- Pt. III. Qualitative Valence Bond Descriptions of the Electronic Structures of Some Electron-Rich Molecules, using Increased-Valence Theory. 16. Increased-valence Structures |
| Notes |
"First published in 1996 by Spektrum Akademischer Verlag under the title: Quantenmechanische Methoden der Hauptgruppenchemie by T.M. Klapötke and A. Schulz"--T.p. verso |
| Bibliography |
Includes bibliographical references and index |
| Subject |
Quantum chemistry.
|
| Author |
Harcourt, R. D.
|
|
Schulz, Axel, 1967-
|
| LC no. |
98012081 |
| ISBN |
0471972428 (alk. paper) |
|
