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Density functional theory


 

Density functional theory (DFT) is one of the most popular approaches to quantum mechanical many-body electronic structure calculations of molecular and condensed matter systems.

Related Topics:
Electronic structure - Molecular - Condensed matter

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Density functional theory: Description of the theory ►

~ Table of Content ~

►Introduction
►Description of the theory
►Early models: Thomas-Fermi model
►Derivation and formalism
►Approximations
►Generalizations to include magnetic fields
►Applications
►Software supporting DFT
►References
►External links

 

 

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