A complete treatment of electron correlation in large strongly correlated systems, based on a fast single-step algorithm for the self-consistent determination of the active space with the density matrix renormalization group.

01 October 2015 → 31 October 2017
Research Foundation - Flanders (FWO)
Research disciplines
  • Natural sciences
    • Applied mathematics in specific fields
    • Astronomy and space sciences
    • Classical physics
    • Condensed matter physics and nanophysics
    • Materials physics
    • Mathematical physics
    • Quantum physics
electron correlations quantum entanglement DMRG
Project description

The density matrix renormalization group allows to describe the electronic structure in large and strongly correlated systems up to unprecedented accuracy. In this project further theoretical, technological and algorithmic developments are pursued to extend the current area of applicability, as well as to obtain a faster execution in the currently possible area of applicability.