In the last few years, much attention has been given by theoretical chemists to the development of more accurate model functionals and faster computational techniques including excited electronic states. The 8th International Conference on the Applications of Density Functional Theory to Chemistry a...

Ausführliche Beschreibung

Bibliographische Detailangaben

Format:	Elektronisch E-Book
Sprache:	English
Veröffentlicht:	Singapore World Scientific Pub. Co. c2002
Schriftenreihe:	Recent advances in computational chemistry v. 1
Schlagworte:	Quantum chemistry Density functionals Electronic structure
Online-Zugang:	FHN01 Volltext
Zusammenfassung:	In the last few years, much attention has been given by theoretical chemists to the development of more accurate model functionals and faster computational techniques including excited electronic states. The 8th International Conference on the Applications of Density Functional Theory to Chemistry and Physics, held in Rome, Italy, on 6–10 September 1999, gathered chemists and physicists to present and discuss state-of-the-art methodological developments and applications of density functional theory (DFT) to increasingly complex systems. The scientists shared their knowledge and experience in DFT, enabling them to face the challenges posed by the needs of high level modeling and simulation in their disciplines. The meeting was opened with an exciting lecture delivered by Nobel laureate W. Kohn. The growing use of DFT in studying organic, inorganic and organometallic molecules, clusters and solids provided the basis for the success of the conference, whose main contributions are collected in this invaluable book
Beschreibung:	ix, 421 p. ill
ISBN:	9789812778161