Orbital-free kinetic-energy functionals for the nearly free electron gas

@inproceedings{Wang1998OrbitalfreeKF,
  title={Orbital-free kinetic-energy functionals for the nearly free electron gas},
  author={Yan Alexander Wang and Niranjan Govind and Emily A. Carter},
  year={1998}
}
We present an improvement over the Wang-Teter, Perrot, and Smargiassi-Madden kinetic-energy functionals without going beyond linear-response theory and without introducing a density-dependent kernel. The improved functionals were tested on bulk aluminum, and excellent results were obtained. Accurate densityfunctional calculations using the new functionals on systems larger than one can study by traditional KohnSham methods are demonstrated. @S0163-1829 ~98!00244-6#