KohnShamconstructies
KohnShamconstructies, often referred to as Kohn-Sham calculations or Kohn-Sham DFT, is a theoretical method used in quantum chemistry and condensed matter physics to approximate the electronic structure of many-electron systems. It is a cornerstone of density functional theory (DFT). The core idea behind Kohn-Sham DFT is to transform the problem of solving the complex many-electron Schrödinger equation into a problem of solving a set of simpler, fictitious single-electron equations, known as Kohn-Sham equations.
These Kohn-Sham equations are constructed such that the exact ground-state density of the real interacting system
The accuracy of Kohn-Sham constructies is highly dependent on the quality of the approximation used for the