Quantal Density Functional Theory - Hardcover

Sahni, Viraht

Hardcover

ISBN 10: 3662498405 ISBN 13: 9783662498408

Publisher: Springer, 2016

Synopsis

This book is on quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter.  The time-independent QDFT constitutes a special case.  The 2^nd edition describes the further development of the theory, and extends it to include the presence of an external magnetostatic field.  The theory is based on the ‘quantal Newtonian’ second and first laws for the individual electron.  These laws are in terms of ‘classical’ fields that pervade all space, and their quantal sources.  Thefields are separately representative of the electron correlations that must be accounted for in local potential theory.  Recent developments show that irrespective of the type of external field the electrons are subject to, the only correlations beyond those due to the Pauli exclusion principle and Coulomb repulsion that need be considered are solely of the correlation-kinetic effects.  Foundational to QDFT, the book describes Schrödinger theory from the new perspective of the single electron in terms of the ‘quantal Newtonian’ laws.  Hohenberg-Kohn density functional theory (DFT), new understandings of the theory and its extension to the presence of an external uniform magnetostatic field are described.  The physical interpretation via QDFT, in terms of electron correlations, of Kohn-Sham DFT, approximations to it and Slater theory are provided.

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From the Back Cover

This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the ‘quantal Newtonian’ first and second laws which is in terms of “classical” fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrödinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives of the traditional approach to electronic structure. 

Edition details

• Publisher: Springer
• Publication date: 2016
• ISBN 10: 3662498405
• ISBN 13: 9783662498408
• Binding: Hardcover
• Language: English
• Edition number: 2
• Number of pages: 432