Communication: Testing and using the Lewin-Lieb bounds in density functional theory.
- Author(s): Feinblum, David V
- Kenison, John
- Burke, Kieron
- et al.
Published Web Locationhttps://doi.org/10.1063/1.4904448
Lewin and Lieb have recently proven several new bounds on the exchange-correlation energy that complement the Lieb-Oxford bound. We test these bounds for atoms, for slowly-varying gases, and for Hooke's atom, finding them usually less strict than the Lieb-Oxford bound. However, we also show that, if a generalized gradient approximation is to guarantee satisfaction of the new bounds for all densities, new restrictions on the exchange-correlation enhancement factor are implied.