Subject: commercial announcement: new book on DFT

From: Wolfram Koch <[email-masked]>
Date: Tue, 7 Mar 100 08:50:59 +0100 (NFT)

Dear colleagues,
those of you interested in DFT might want to learn
about following new book:

Koch, Wolfram / Holthausen, Max C.
A Chemist's Guide to Densitiy Functional Theory
198.- DM / 101.24 EUR / 176.- SFR
2000. XIV, 294 pages. Hardcover
ISBN 3-527-29918-1 Wiley-VCH, Weinheim (Germany)

>From the Table of Contents:
Elementary Quantum Chemistry, Electron Density and Hole Functions,
The Electron Density as Basic Variable: Early Attempts,
The Hohenberg-Kohn Theorems, The Kohn-Sham Approach,
The Quest for Approximate Exchange-Correlation Functionals,
The Basic Machinery of Density Functional Programs, Molecular
Structures and Vibrational Frequencies, Relative Energies and
Thermochemistry, Electric Properties, Magnetic Properties, Hydrogen
Bonds and Weakly Bound Systems, Chemical Reactivity: Exploration
of Potential Energy Surfaces, Bibliography, Index.

>From the Foreword by Evert Jan Baerends:
"It is because of the well equilibrated treatment of physical principles
and chemical applications that this book does a good and very timely
service to the computational and quantum chemists as well as to the
chemistry community at large. I am happy to recommend it to this audience".

>From comments by P. v. R. Schleyer on the back cover:
"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!".

For further information see:
http://www.wiley-vch.de/books/tis/eng/3-527-29918-1.html
or contact the authors at 
[email-masked] or [email-masked]

Cheers,
Wolfram

-- 
_________________________________________________________________________

 Prof. Dr. Wolfram Koch     Institut fuer Organische Chemie, Sekr.C3
                            Technische Universitaet Berlin
                            Strasse des 17.Juni 135, D-10623 Berlin
                            Fon: +49 30 314 27870, Fax: +49 30 314 21102
                            e-mail: [email-masked]
_________________________________________________________________________