Product Description

"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!"
Paul von Ragué Schleyer

"A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practitioners who aim to use DFT to solve chemical problems."
J. F. Stanton, J. Am. Chem. Soc.

"The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably."
P. C. H. Mitchell, Appl. Organomet. Chem.

"The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems."
M. Kaupp, Angew. Chem.

Product Details

• Amazon Sales Rank: #568526 in Books
• Published on: 2001-08-21
• Original language: English
• Dimensions: .68" h x 6.80" w x 9.48" l, 1.39 pounds
• Binding: Paperback
• 313 pages

Review
..."Wolfram Koch und Max Holthausen schafften es meisterlich, sowohl ein Lehrwerk f]r Anfdnger als auch ein einfaches Nachschlagewerk f]r Experten auf dem Gebiet der Dichtefunktionaltheorie-Methoden zu konzipieren. Dies wurde mvglich durch die Aufteilung des Buches in zwei gro_e Teile: Theorie und Praxis. Wdhrend die Theorie sich in verstdndlicher Weise auf das Nvtigste beschrdnkt, werden im Praxisteil nahezu alle ]blichen quantenchemischen Fragestellungen eingehend besprochen ? und dies exemplarisch anhand aufbereiteter Originalvervffentlichungen." wissenschaft-online

Book Info
Provides a wide-ranging and pragmatic view of the subject. Author's aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy to understand theoretical level. Softcover.