MLRCIssc
MLRCIssc is a software tool developed by the University of California, Irvine, designed for the analysis of molecular quantum chemistry. It is an implementation of the Multi-Reference Configuration Interaction (MRCI) method, which is a post-Hartree-Fock method used to calculate the electronic structure of molecules. The MRCI method is particularly useful for systems where static correlation is significant, such as in transition metal complexes and molecules with multiple unpaired electrons.
The software is written in Fortran and is designed to be efficient and scalable, making it suitable
The software is freely available for academic use and can be downloaded from the University of California,