Book A Chemist’s Guide to Density Functional Theory pdf


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Book A Chemist’s Guide to Density Functional Theory pdf

Book A Chemist’s Guide to Density Functional Theory pdf : Pages 306

By Wolfram Koch, Max C. Holthausen

Publisher: Wiley-VCH, Year: 2001

ISBN: 9783527303724,3527303723

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Description:
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.

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