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DENSITY FUNCTIONAL THEORY AND ITS APPLICATION TO MATERIALS

International Conference on Density Functional Theory and Its Applications to Materials

V. Van Doren, University of Antwerp, Department of Physics, Antwerpen, BELGIUM ; P. Geerlings, Free University of Brussels (VUB), Department of General Chemistry (ALGC), Brussels, BELGIUM ; C. Van Alsenoy, University of Antwerp, Faculty of Sciences, Antwerpen, BELGIUM


AIP Conference Proceedings 577


Conference Location and Date: Antwerp, Belgium, 8-10 June 2000

Subseries: Materials Physics and Applications

Published July 2001; ISBN 0-7354-0016-4 One Volume, Print; 220 pages; 6 3/8 x 9 1/4 inches; Hardcover; $120.00

Readership: Graduate students, researchers working in the fields of quantum chemistry, solid state physics and materials science.

An overview of the state-of-the-art in Density Functional Theory is given. Not only the recent theoretical developments but also the achievements in calculating mechanical and electronic properties of molecules, polymers and solids are described. The level of presentation is suitable for graduate students and research workers in quantum chemistry and materials science as well as for scientists working in the interface between chemistry and biology.

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