SMITH3 is an automatic code generator that writes tens of thousand lines of computer codes in a second. Fully internally contracted dynamic correlation methods, such as CASPT2, MRCI, and their relativistic analogues are implemented by SMITH3.
- Multireference second-order perturbation theory (CASPT2)
- Multireference configuration interaction (MRCI)
- Relativistic multireference second-order perturbation theory (RelCASPT2)
- Relativistic Multireference configuration interaction (RelMRCI)