Computational Molecular Spectroscopy
Per Jensen, Philip R. Bunker, Philip R.. Bunker
Wiley, Nov 2, 2000 - Science - 670 pages
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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The BornOppenheimer approximation
Ab initio determination of accurate ground electronic state potential energy
18 other sections not shown
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