A Primer in Density Functional Theory

Marques, Miguel A. L.

Rilegato

ISBN 10: 3540030832 ISBN 13: 9783540030836

Casa editrice: Springer Nature, 2003

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.

Contenuti:

Density Functionals for Non-relativistic Coulomb Systems in the New Century.- Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals.- Relativistic Density Functional Theory.- Time-Dependent Density Functional Theory.- Density Functional Theories and Self-energy Approaches.- A Tutorial on Density Functional Theory.

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