Computational Molecular Spectroscopy

Computational Molecular Spectroscopy

Computational Molecular Spectroscopy
By Per Jensen, Philip Bunker

Publisher: Wiley
Number Of Pages: 686
Publication Date: 2000-10-18
ISBN-10 / ASIN: 0471489980
ISBN-13 / EAN: 9780471489986
Binding: Hardcover

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.

Summary: Another great book by these authors
Rating: 5

This is another great book by these authors. Their earlier book `Molecular Symmetry and Spectroscopy; the second edition' is a must buy for any spectroscopist as is the one under review here.

Summary: Editorial review
Rating: 5

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 computational 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:

1. Ab initio calculation of potential energy surfaces and other electronic properties of molecules

2. Perturbation-theory-based and variational approaches to the calculation of spectroscopic data

3. Theory of calculating rovibronic energies, including the Renner and Jahn-Teller effects

4. Special topics of high current interest: highly excited states and local modes, semi-classical approaches, time-dependent phenomena, and the Car-Parrinello approach

http://www.filefactory.com/file/fcafd9/
http://rapidshare.com/files/104144311/PJ_PRB-CMS.rar