Abstract
Density-functional theory (DFT) is notorious for the absence of gradient corrections to the two-dimensional (2D) Thomas-Fermi kinetic-energy functional; it is widely accepted that the 2D analog of the 3D von Weizsäcker correction vanishes, together with all higher-order corrections. Contrary to this long-held belief, we show that the leading correction to the kinetic energy does not vanish, is unambiguous, and contributes perturbatively to the total energy. This insight emerges naturally in a simple extension of standard DFT, which has the effective potential energy as a functional variable on equal footing with the single-particle density.
| Original language | English |
|---|---|
| Article number | 042510 |
| Journal | Physical Review A |
| Volume | 93 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2016 Apr 25 |
All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
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