By Wolfram Koch,Max C. Holthausen

ISBN-10: 3527299181

ISBN-13: 9783527299188

ISBN-10: 3527303723

ISBN-13: 9783527303724

"Chemists accustomed to traditional quantum mechanics will applaud and profit drastically from this really instructive, thorough and obviously written exposition of density sensible concept: its foundation, thoughts, phrases, implementation, and function in different purposes. clients of DFT for constitution, power, and molecular estate computations, in addition to response mechanism stories, are guided to the optimal offerings of the simplest equipment. good done!"
Paul von Rague Schleyer

"A conspicuous gap within the computational chemist's library is well stuffed by means of this ebook, which gives a wide-ranging and pragmatic view of the subject.[...It] may still justifiably turn into the favourite textual content at the topic for practioneers who target to take advantage of DFT to resolve chemical problems."
J. F. Stanton, J. Am. Chem. Soc.

"The authors' objective is to lead the chemist via uncomplicated theoretical and comparable technical facets of DFT at an easy-to-understand theoretical point. They be successful admirably."
P. C. H. Mitchell, Appl. Organomet. Chem.

"The authors have performed a superb provider to the chemical neighborhood. [...] A Chemist's advisor to Density practical concept is strictly what the name indicates. it may be a useful resource of perception and data for plenty of chemists utilizing DFT techniques to resolve chemical problems."
M. Kaupp, Angew. Chem.

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A Chemist's Guide to Density Functional Theory by Wolfram Koch,Max C. Holthausen


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