Density Functional Theory of Molecules, Clusters, and Solids by De Ellis

Density Functional Theory of Molecules, Clusters, and Solids by De Ellis

Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.

SKU	Non disponible
ISBN 13	9789401042185
ISBN 10	9401042187
Titre	Density Functional Theory of Molecules, Clusters, and Solids
Auteur	De Ellis
Série	Understanding Chemical Reactivity
État	Non disponible
Type de reliure	Paperback
Éditeur	Springer
Année de publication	2012-11-05
Nombre de pages	320
Note de couverture	La photo du livre est présentée à titre d'illustration uniquement. La reliure, la couverture ou l'édition réelle peuvent varier.
Note	Non disponible