Analysis of Electron Correlation Effects in Strongly Correlated Systems (${\mathrm{N}}_2$ and ${\mathrm{N}}_2^{+}$) by applying DMRG and Quantum Information Theory

Christian Stemmle, Örs Legeza, Beate Paulus

The dissociation of ${\mathrm{N}}_2$ and ${\mathrm{N}}_2^{+}$ has been studied by using the \emph{ab initio} Density Matrix Renormalization Group (DMRG) method. Accurate Potential Energy Surfaces…