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Beschreibung
The main subjects are:
- a comprehensive mathematical description of molecular systems,
- a new reaction path concept,
- an algorithm for following the reaction path.
The reaction path's tangent is determined by an excitation vector and the saddle points surrounding a minimizer can be localized without further information. A procedure appropriate to trace these reaction paths is presented.
- a comprehensive mathematical description of molecular systems,
- a new reaction path concept,
- an algorithm for following the reaction path.
The reaction path's tangent is determined by an excitation vector and the saddle points surrounding a minimizer can be localized without further information. A procedure appropriate to trace these reaction paths is presented.
Details
| Verlag | Springer Berlin |
| Ersterscheinung | 20. Oktober 1998 |
| Maße | |
| Gewicht | 230 Gramm |
| Format | Softcover |
| ISBN-13 | 9783540649786 |
| Seiten | 128 |
Schlagwörter
Materialwissenschaft, Physik der kondensierten Materie (Flüssigkeits- und Festkörperphysik), Quanten- und theoretische Chemie, Quantenphysik (Quantenmechanik und Quantenfeldtheorie), Quantum Information Technology - Spintronics, Quantum Physics, Spintronics, Theoretical and Computational Chemistry, Theoretical Chemistry
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