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Computational Molecular Spectroscopyby Per Jensen
Synopses & ReviewsPublisher Comments: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. Book News Annotation:Twenty studies bridge the gaps between traditional quantum chemistry,
which is mainly concerned with calculating the electronic properties
of molecules, theoretical high-resolution spectroscopy, traditionally
concerned with calculating bound rovibronic states, and molecular
dynamics, which looks at the time dependence of molecular processes.
The four general themes are electronic states; rotation and vibration
states; the Oppenheimer approximation of rovibronic states and the
breakdown of the born, and dynamics. Readers are assumed to be
researchers in those fields and in areas between them.
Annotation c. Book News, Inc., Portland, OR (booknews.com) Review:"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 International Edition, Vol. 42, No. 1, January 3, 2003) Synopsis:Aus diesem Band erfahren Sie, wie man moderne computergestützte Rechenmethoden zur Vorhersage hochaufgelöster Molekülspektren anwendet und dadurch dem Spektroskopiker bei der Interpretation und Zuordnung experimenteller Spektren hilft. Durch die ausgewogene Mischung von Beiträgen aus der theoretischen Chemie und Physik bietet sich ein aussagefähiger Überblick über das Gesamtgebiet. (10/00) 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. What Our Readers Are SayingBe the first to add a comment for a chance to win!Product Details
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