They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
The programs include both open source and commercial software.
The following tables illustrates some of the main capabilities of notable packages: Slater-type_orbital † "Academic": academic (no cost) license possible upon request; "Commercial": commercially distributed.
2 QuanPol is a full spectrum and seamless (HF, MCSCF, GVB, MP2, DFT, TDDFT, CHARMM, AMBER, OPLSAA) QM/MM package integrated in GAMESS-US.
[8] 10 Through CRYSCOR Archived 2019-12-26 at the Wayback Machine program.