Using ab initio methods to Guide Density-Functional Theory

A challenge for density functional methods is the need to better understand the universal density functional F[rho]. Particularly the exchange-correlation component Exc[rho] but also the kinetic component T[rho]. To address this challenge QUEST includes a number of techniques to use highly accurate ab initio methods to study the density-functionals to high accuracy

  • Constrained Search Methods
  • The Lieb Variation Principle
  • Adiabatic Connection Methods