A Chemist's Guide to Density Functional Theory

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A Chemist's Guide to Density Functional...

A Chemist's Guide to Density Functional Theory

Name: A Chemist's Guide to Density Functional Theory
ISBN: 9783527303724

Wolfram Koch, Max C. Holthausen

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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.

Kategorie:

Medicine

Rok:

2001

Wydanie:

Wydawnictwo:

Wiley-VCH

Język:

english

Strony:

306

ISBN 10: