Computational Strategies For Spectroscopy: From Small Molecules To Nano Systems

The primary intent of this book is to present and analyze numerous examples of the current state of computational spectroscopy techniques for medium-to-large molecular systems in the gas phase as well as in more complex environments. Theoretical models get particular attention, and the central focus is on approaches that are readily accessible to non-specialists. The book includes an introduction to electron paramagnetic resonance and covers the challenge of optical spectroscopies and the search for accurate models. Sections address electronic and spin states and effects related to nuclear motions in time-independent and time-dependent models. While the text is technical, it is written in a direct manner to accommodate non-specialists. Extensive references and detailed illustrations are included. Editor Barone (Scuola Normale Superiore, Italy) and 27 contributors provided content. Annotation c2012 Book News, Inc., Portland, OR (booknews.com)

Vincenzo Barone is a Full Professor of Theoretical and Computational Chemistry at the Scuola Normale Superiore in Pisa. He is President of the Italian Chemical Society and a Fellow of the International Academy of Quantum Molecular Sciences. He is the author of nearly 500 publications in international journals, with more than 20,000 citations, and has given about 150 invited lectures in Italian and foreign institutions.