Leading corrections to local approximations

الأصل · EN

For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential. Turning points produce quantum oscillations leading to energy corrections, which are completely different from the gradient corrections that occur in bulk systems with slowly-varying densities. Approximations that include quantum corrections are typically much more accurate than their local analogs. The consequences for density functional theory are discussed.