A Primer in Density Functional Theory - Carlos Fiolhais

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A Primer in Density Functional Theory

By: Carlos Fiolhais, ?Fernando Nogueira, ?Miguel A.L. Marques

eText | 11 January 2008 | Edition Number 1

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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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