Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Language: English
Published by Springer, 1995
- Hardcover
- New
Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH
AbeBooks seller since August 14, 2006
Condition: New
£ 326.82
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Add to basketItem description from seller
Druck auf Anfrage Neuware - Printed after ordering - 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.…
Seller Inventory # 9780792332640
- Title
- Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
- Author
- S. Langhoff
- Publisher
- Springer
- Publication year
- 1995
- Condition
- Neu
- Binding
- Buch
- Language
- English
- ISBN 10
- 0792332644
- ISBN 13
- 9780792332640
- Item weight
- 852 grams
- Dimensions
- 241x160x31 mm
"Synopsis" may belong to another edition of this title.
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