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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - S. Langhoff
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S. Langhoff:
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - hardcover

ISBN: 9780792332640

ID: 9780792332640

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy Quantum-Mechanical-Electronic-Structure-Calculations-with-Chemical-Accuracy~~S-Langhoff Science/Tech>Physics>Physics Hardcover, Springer-Verlag New York, LLC

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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)

The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.

Details of the book - Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)


EAN (ISBN-13): 9780792332640
ISBN (ISBN-10): 0792332644
Hardcover
Publisher: Springer-Verlag New York, LLC

Book in our database since 04.06.2007 12:35:46
Book found last time on 19.04.2016 10:54:22
ISBN/EAN: 0792332644

ISBN - alternate spelling:
0-7923-3264-4, 978-0-7923-3264-0


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