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 gain vastly from this fairly instructive, thorough and obviously written exposition of density useful concept: its foundation, thoughts, phrases, implementation, and function in different functions. 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 crammed through this ebook, which supplies a wide-ranging and pragmatic view of the subject.[...It] may still justifiably develop into the favourite textual content at the topic for practioneers who objective to take advantage of DFT to unravel chemical problems."
J. F. Stanton, J. Am. Chem. Soc.

"The authors' goal is to steer the chemist via easy theoretical and similar technical facets of DFT at an easy-to-understand theoretical point. They be triumphant admirably."
P. C. H. Mitchell, Appl. Organomet. Chem.

"The authors have performed an outstanding provider to the chemical group. [...] A Chemist's advisor to Density useful thought is strictly 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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