Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy is popular PDF and ePub book, written by S. Langhoff in 2012-12-06, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy can be Read Online from any device for your convenience.
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy Book PDF Summary
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.
Detail Book of Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy PDF
- Author : S. Langhoff
- Release : 06 December 2012
- Publisher : Springer Science & Business Media
- ISBN : 9789401101936
- Genre : Science
- Total Page : 451 pages
- Language : English
- PDF File Size : 9,5 Mb
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