Computational Molecular Spectroscopy - Hardcover

Jensen

Hardcover

ISBN 10: 0471489980 ISBN 13: 9780471489986

Verlag: John Wiley & Sons, 2000

Inhaltsangabe

This book describes the use of modern computational methods in predicting high resolution molecular spectra, which allows the experimental spectroscopist to interpret and assign real spectra.
* Offers a comprehensive treatment of modern computation techniques.

* Provides a collection of material from different areas of theoretical chemistry and physics.

* Bridges the gap between traditional quantum chemistry and experimental molecular spectroscopy.

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Über die Autorin bzw. den Autor

Per Jensen and Philip R. Bunker are the authors of Computational Molecular Spectroscopy, published by Wiley.

Von der hinteren Coverseite

Theoretical molecular spectroscopy has been the subject of intense activity in the last decade as a result of the increasing availability of powerful computers. Computational Molecular Spectroscopy is the first book ever to provide a comprehensive treatment of modern compuational techniques for predicting/interpreting molecular spectra.
Comprised essentially of four main parts, the book is a must for research workers in high resolution molecular spectroscopy and in quantum chemistry. It is also highly useful to undergraduate and postgraduate students of physics and chemistry, who are just starting out in the field.
The four main areas covered include:
* Ab initio calculation of potential energy surfaces and other electronic properties of molecules
* Perturbation-theory-based and variational approaches to the calculation of spectroscopic data
* Theory of calculating rovibronic energies, including the Renner and Jahn-Teller effects
* Special topics of high current interest: highly excited states and local modes, semi-classical approaches, time-dependent phenomena, and the Carr-Parrinello approach.

Details zur Ausgabe

• Verlag: John Wiley & Sons
• Erscheinungsdatum: 2000
• Sprache: Englisch
• ISBN 10: 0471489980
• ISBN 13: 9780471489986
• Einband: Tapa dura
• Anzahl der Seiten: 688
• Kontakt zum Hersteller: Nicht verfügbar
• Verantwortliche Person: Nicht verfügbar