che-chandler.de
Lecture Notes in Quantum Chemistry
European Summer School in Quantum Chemistry
Paperback
Print on Demand | Lieferzeit: Print on Demand - Lieferbar innerhalb von 3-5 Werktagen I
Alle Preise inkl. MwSt. | Versandkostenfrei
Nicht verfügbar
Zum Merkzettel
Gewicht:
742 g
Format:
242x170x24 mm
Beschreibung:
Die Computerchemie hat heute einen Stand erreicht, der auch dem Nicht-Spezialisten die Anwendung von Methoden und Programmen ermöglicht. Deshalb gibt es einen großen Bedarf für umfassende Informationen über die Anwendungen. Dieses Buch bietet Studenten und Forschern einen Einstieg in die modernen Hilfsmittel der Quantenchemie.
Computational chemistry has today reached a status where available methods and program systems are also used by scientists who are not specialists in the field. As a result there is a growing need to acquire the background knowledge necessary for a skilful use of these methods. This book will be useful as a textbook for students and researchers interested in learning more about modern methodology in quantum chemistry.
Mathematical Tools in Quantum Chemistry.- The Method of Second Quantization.- Molecular Symmetry and Quantum Chemistry.- The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory.- The Configuration Interaction Method.- Optimization of Minima and Saddle Points.- Accurate Calculations and Calibration.- The Effective Core Potential Method.
"Quantum Chemistry" is the course material of a EuropeanSummer School in Quantum Chemistry, organized by Bj|rn O.Roos. It consists of lectures by outstanding scientists whoparticipate in the education of students and youngscientists. The book has a wider appeal as additionalreading for University courses.Contents:P.-A. Malmquist: Mathematical Tools in Quantum ChemistryJ. Olsen: The Method of Second QuantizationP.R. Taylor: Molecular Symmetry and Quantum ChemistryB.O. Roos: The Multiconfigurational (MC) Self-ConsistentField (SCF) TheoryP.E.M. Siegbahn: The Configuration Interaction MethodT. Helgaker: Optimization of Minima and Saddle PointsP.R. Taylor: Accurate Calculations and CalibrationU. Wahlgren: Effective Core Potential Method