Density-Functional Theory (DFT)

This page is intended to provide information useful for people using and/or developing density-functional theory based tools for electronic structure calculations. The main focus will be on usage and development of DFT methods within Sandia.

If you want to know more about what we do with DFT at Sandia, view our presentations

If you were looking for classical DFT methods for fluids at Sandia, you want to go the fluids DFT site.

A good place to look for information about electronic structure methods that is not yet on these pages is