RealFeedApp Optimizing densities form a two-dimensional manifold
The authors proved that the Thomas-Fermi-von Weizsacker approximation for kinetic energy in Density Functional Theory is exact when the normalized density profile lies on the Poincaré density manifold.
- Field
- new materials
- What they did
- Researchers proved a precise mathematical inequality for one-dimensional systems and applied it to estimate errors in the kinetic energy approximation within density functional theory.
- Why it matters
- This enables the accurate calculation of atomic energy and structure in materials, as the approximation error is controlled by the distance of the density profile to a specific geometric object.
#density functional theory#lieb-thirring inequality#poincaré density manifold#quantum physics
