Quantal Density Functional Theory, Second Edition

Quantal Density Functional Theory, Second Edition
September 14. 2016 | ISBN-10: 3662498405 | 413 Pages | PDF | 7.53 MB

Authors: Sahni, Viraht
Presents a new edition of a well-reviewed book
Gives a new understanding of QDFT in terms of classical fields
Uses the Schr?dinger 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

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 Schr?dinger 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.

Number of Illustrations and Tables
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

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