Strongly Constrained and Appropriately Normed Semilocal Density Functional.

@article{Sun2015StronglyCA,
  title={Strongly Constrained and Appropriately Normed Semilocal Density Functional.},
  author={Jianwei Sun and Adrienn Ruzsinszky and John P Perdew},
  journal={Physical review letters},
  year={2015},
  volume={115 3},
  pages={
          036402
        }
}
The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-generalized-gradient approximation (meta-GGA) that is fully constrained, obeying all 17 known exact constraints that a meta-GGA can. It is also exact or nearly exact for a set of "appropriate norms," including rare-gas atoms and nonbonded interactions. This… CONTINUE READING

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