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Books > Science & Mathematics > Physics > Quantum physics (quantum mechanics)
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Quantal Density Functional Theory (Hardcover, 2nd ed. 2016)
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Quantal Density Functional Theory (Hardcover, 2nd ed. 2016)
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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. The fields 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 Schroedinger 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.
General
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