Abstract
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 density-functional calculations using the new functionals on systems larger than one can study by traditional Kohn-Sham methods are demonstrated.
Original language | English (US) |
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Pages (from-to) | 13465-13471 |
Number of pages | 7 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 58 |
Issue number | 20 |
DOIs | |
State | Published - 1998 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics