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Cover of A primer in density functional theory

A primer in density functional theory

by C. Fiolhais, Miguel A. L. Marques

Mathematical physicsDensity functionalsPhysicsChemistryQuantum theoryMolecular structureCondensed matter

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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Book data: Open Library