Hamiltonians
- non-relativistic one-component (1c) Hartree-Fock (HF) and Kohn-Sham (KS)
- HF/KS with the second-order Douglas-Kroll-Hess one-electron scalar relativistic corrections
- relativistic 2c HF/KS with the X2C transformed one-electron Dirac Hamiltonian (1eX2C)
- relativistic 4c matrix/modified Dirac-Hartree-Fock (mDHF) and Dirac-Kohn-Sham (mDKS)
- scalable speed of light
- scalable spin-orbit interaction