Post Hartree-Fock Methods in Q-Chem
For many types of systems, correlation is key. Whether you're determining the spin-orbit coupling of a strongly correlated transition metal complex, or simply need to add a bit of dynamical correlation to improve the accuracy of your results, Q-Chem has you covered. For handling dynamical correlation, we have a variety of perturbative approaches available, as well as coupled cluster and diagrammatic approaches. For those tricky systems where a single reference just won't do the job, consider one of our methods designed for handling strong correlation, such as CASSCF or selected CI.
Møller-Plesset Perturbation Theory
Coupled-Cluster and Diagrammatic Theories
Methods for Strongly Correlated Systems