Overview
- Presents a new edition of a well-reviewed book
- Gives a new understanding of QDFT in terms of classical fields
- Uses the Schrödinger theory from a new point of view
- Supports learning with great clarity of thought and consistency
- Displays a detailed roadmap of the basic ideas behind QDFT
- Delivers a large set of examples worked out in great detail and wonderfully illustrated
- Includes supplementary material: sn.pub/extras
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Table of contents (11 chapters)
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Front Matter
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Back Matter
Keywords
About this book
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 2nd 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.
Authors and Affiliations
About the author
Bibliographic Information
Book Title: Quantal Density Functional Theory
Authors: Viraht Sahni
DOI: https://doi.org/10.1007/978-3-662-49842-2
Publisher: Springer Berlin, Heidelberg
eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)
Copyright Information: Springer-Verlag Berlin Heidelberg 2016
Hardcover ISBN: 978-3-662-49840-8Published: 19 August 2016
Softcover ISBN: 978-3-662-57039-5Published: 12 June 2018
eBook ISBN: 978-3-662-49842-2Published: 12 August 2016
Edition Number: 2
Number of Pages: XIX, 413
Number of Illustrations: 51 b/w illustrations, 20 illustrations in colour
Topics: Theoretical, Mathematical and Computational Physics, Math. Applications in Chemistry, Surface and Interface Science, Thin Films, Surfaces and Interfaces, Thin Films