Title: Theoretical and Computational Developments in Modern Density Functional Theory
Publisher: Nova Science Pub Inc
Publication Date: 2013
Language: English
ISBN 10: 1619427796
ISBN 13: 9781619427792
Binding: Hardcover
Condition: As New

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Synopsis

Modern day's electronic structure theory of molecules, solids, materials, biomolecules, etc., heavily depends on the astounding success of density functional theory (DFT). Ever since its inception, the theory has come a long way. Despite the fact that there are many disconcerting open questions yet to be answered, it has made a remarkable impact towards our understanding of increasingly larger and complex systems. This book presents some of the exciting, important, latest developments that took place in DFT, of late. The main focus lies on theoretical, computational and conceptual aspects including formalism, algorithm etc., with some applications.

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