Restricted Active Space with Double Spin Flip (RAS-2SF) in Q-Chem 5.x
joaquinbarroso
There are basically two kinds of electron correlation: static and dynamic. The former is mostly related to the lack of ab initio methods, namely Hartree-Fock, to fully describe the state of a polyelectronic system with a single electron configuration (described in turn by a single Slater determinant), therefore the use of Multiconfigurational methods ensures a […]