A complete treatment of electron corr...
Project: 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.
01/10/15 – 30/09/18
- 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.