Density matrix renormalization group with efficient dynamical electron correlation through range separation

J Chem Phys. 2015 Jun 14;142(22):224108. doi: 10.1063/1.4922295.

Abstract

We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.