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Beschreibung
initiorelativisticmolecularstructurecalculationsinwhichall electrons are explicitly considered. The problem of induding relativistic effects in molecular studies is also addressed in Chapters3 and 4. In Chapter 3, Odd Gropen describes the use of relativistic effective core ix x Preface potentials in calculations on molecular systems involving heavy atoms. This approach can lead to more tractable algorithms than the methods described in Chapter2 and thus significantly extends the range of applications. The use of semiempirical methods has yielded a wealth of informationabouttheinfluenceofrelativityonthechemistryoftheheavier elements. Thisimportantarea is reviewed inChapter4 by Pekka Pyykk6. Finally, inChapter5, Harry M.
Volume 2 Relativistic Effects in Atoms and Molecules
Details
| Verlag | Springer US |
| Ersterscheinung | 26. September 2011 |
| Maße | 22.9 cm x 15.2 cm |
| Gewicht | 449 Gramm |
| Format | Softcover |
| ISBN-13 | 9781461280446 |
| Seiten | 306 |
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