Quantal Density Functional Theory, Second Edition

Quantal Density Functional Theory, Second Edition
Quantal Density Functional Theory, Second Edition
Springer | Computational Physics | September 14, 2016 | ISBN-10: 3662498405 | 413 pages | pdf | 7.53 mb

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 descrion of matter based on the ˜quantal Newtonian first and second laws which is in terms of œclassical 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.


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