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Theoretical and Computational Developments in Modern Density Functional Theory (Physics Research and Technology) - Hardcover

Amlan K. Roy

 
9781619427792: Theoretical and Computational Developments in Modern Density Functional Theory (Physics Research and Technology)
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ISBN 10: 1619427796 ISBN 13: 9781619427792
Publisher: Nova Science Publishers, Inc., 2013
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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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