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

By Wolfram Koch,Max C. Holthausen

"Chemists conversant in traditional quantum mechanics will applaud and profit enormously from this rather instructive, thorough and obviously written exposition of density useful idea: its foundation, suggestions, phrases, implementation, and function in diversified functions. clients of DFT for constitution, power, and molecular estate computations, in addition to response mechanism reports, are guided to the optimal offerings of the best equipment. good done!"
Paul von Rague Schleyer

"A conspicuous gap within the computational chemist's library is well crammed 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 exploit DFT to resolve chemical problems."
J. F. Stanton, J. Am. Chem. Soc.

"The authors' objective is to steer the chemist via easy theoretical and comparable technical elements 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 very good carrier to the chemical group. [...] A Chemist's consultant to Density useful concept is precisely what the name indicates. it's going to be a useful resource of perception and information for plenty of chemists utilizing DFT techniques to resolve chemical problems."
M. Kaupp, Angew. Chem.

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