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Computational Molecular Spectroscopy ISBN 13: 9780471489986

Computational Molecular Spectroscopy - Hardcover

 
9780471489986: Computational Molecular Spectroscopy

Synopsis

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.

"synopsis" may belong to another edition of this title.

About the Author

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

From the Back Cover

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.

From the Inside Flap

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.

"About this title" may belong to another edition of this title.

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Jensen, Per (EDT); Bunker, Philip R. (EDT)
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Hardcover. Condition: new. 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. 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. aeo Offers a comprehensive treatment of modern computation techniques. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability. Seller Inventory # 9780471489986

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Hardcover. Condition: new. 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. 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. aeo Offers a comprehensive treatment of modern computation techniques. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability. Seller Inventory # 9780471489986

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Condition: New. Twenty studies bridge the gaps between traditional quantum chemistry.theoretical high-resolution spectroscopy.and molecular dynamics. (SciTech Book News, Vol. 25, No. 2, June 2001) .a valuable source of information. (Angewandte Chemie Internatio. Seller Inventory # 446916802

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