A Chemist's Guide to Density Functional Theory - download pdf or read online

By Wolfram Koch,Max C. Holthausen

"Chemists acquainted with traditional quantum mechanics will applaud and profit tremendously from this quite instructive, thorough and obviously written exposition of density practical conception: its foundation, suggestions, phrases, implementation, and function in various 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 tools. good done!"
Paul von Rague Schleyer

"A conspicuous gap within the computational chemist's library is properly crammed by means of this publication, 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 goal to exploit DFT to unravel chemical problems."
J. F. Stanton, J. Am. Chem. Soc.

"The authors' objective is to steer the chemist via uncomplicated theoretical and comparable technical points 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 good provider to the chemical neighborhood. [...] A Chemist's consultant to Density sensible concept is precisely what the identify indicates. it may be a useful resource of perception and data for plenty of chemists utilizing DFT ways to unravel 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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