A Primer in Density Functional Theory (Google eBook)

Front Cover
Carlos Fiolhais, Fernando Nogueira, Miguel A.L. Marques
Springer Science & Business Media, Jun 11, 2003 - Science - 256 pages
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Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.

  

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Contents

1 Density Functionals for Nonrelativistic Coulomb Systems in the New Century
1
A Third Generation of Density Functionals
56
3 Relativistic Density Functional Theory
123
4 TimeDependent Density Functional Theory
144
5 Density Functional Theories and Selfenergy Approaches
185
6 A Tutorial on Density Functional Theory
218
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