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A Chemist's Guide to Density Functional Theory, 2nd Edition

Wolfram Koch, Max C. Holthausen




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 | #819617 in Books |  2001-07-11 | Original language:English | PDF # 1 |  9.67 x.69 x6.77l,1.39 | File type: PDF | 313 pages

||23 of 23 people found the following review helpful.| DFT for chemists!|By Pichierri Fabio|Computational and Theoretical chemists concerned with the applications of canonical quantum chemistry (molecular orbital) methods to chemically interesting problems know too well how (computationally) demanding is going beyond the Hartree-Fock (HF) approximation by employing the so called post-HF methods. Hence, very often they must resort| |..."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 B

"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!"
Pau...

You easily download any file type for your device.A Chemist's Guide to Density Functional Theory, 2nd Edition   |  Wolfram Koch, Max C. Holthausen. A good, fresh read, highly recommended.

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