Search results for "numerical construction"

Numerical construction of the density-potential mapping

2018

We demonstrate how a recently developed method Nielsen et al. [Nielsen et al., EPL 101, 33001 (2013)] allows for a comprehensive investigation of time-dependent density functionals in general, and of the exact time-dependent exchange-correlation potential in particular, by presenting the first exact results for two- and three-dimensional multi-electron systems. This method is an explicit realization of the Runge–Gross correspondence, which maps time-dependent densities to their respective potentials, and allows for the exact construction of desired density functionals. We present in detail the numerical requirements that makes this method efficient, stable and precise even for large and rap…