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Quantal Density Functional Theory de Viraht Sahni

Quantal Density Functional Theory

Autor Viraht Sahni
en Limba Engleză Hardback – 19 aug 2016
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.

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Specificații

ISBN-13: 9783662498408
ISBN-10: 3662498405
Pagini: 436
Ilustrații: XIX, 413 p. 71 illus., 20 illus. in color.
Dimensiuni: 160 x 241 x 29 mm
Greutate: 0.77 kg
Ediția:2nd edition 2016
Editura: Springer
Locul publicării:Berlin, Heidelberg, Germany

Cuprins

From the Contents: Schrödinger Theory from the Perspective of ‘Classical’ Fields Derived from Quantal Sources.- Quantal Density Functional Theory.- The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory.- Physical Interpretation of Kohn-Sham Density Functional Theory.- Generalization of the Hohenberg-Kohn Theorem to the Presence of a Magnetostatic Field.

Notă biografică

Viraht Sahni received his Bachelor of Technology (Honors) degree in Electrical Engineering from the Indian Institute of Technology, Bombay, India, in 1965, his Master of Science in Electrical Engineering (1968) and his Doctor of Philosophy in Physics (1972) from the Polytechnic Institute of Brooklyn, New York, USA. He was a post-doctoral associate at Brooklyn College of the City University of New York (CUNY) from 1972-1974, when he joined Brooklyn College as Assistant Professor and Member of the doctoral faculty in Physics of the Graduate Centre of CUNY. He became (and is presently) Professor of Physics at Brooklyn College and the Graduate Centre of CUNY in 1982. He was Visiting Research Physicist at the National (now Kavli) Institute of Theoretical Physics, Santa Barbara, California, in 1983. He was appointed Broeklundian Professor of Physics at Brooklyn College from 2001-2011. His interests lie in the theoretical foundations of and applications to the electronic structure of matter, both natural and artificial. He has published three books on a newly developed theory of electronic structure: Quantal Density Functional Theory, Springer-Verlag, 2004; Quantal density Functional Theory II: Approximation Methods and Applications, Springer-Verlag, 2010, and Quantal density Functional Theory, 2nd Edition, Springer-Verlag, 2016.

Textul de pe ultima copertă

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. 

Caracteristici

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