FUNDAMENTAL CHEMISTRY

A Chemist’s Guide to Density Functional Theory, 2nd Edition Free Download

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

About Book

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. A conspicuous hole in the computational chemist’s library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems.

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