Model Hamiltonian

• A choice of Density Functionals, both for the Local Density Approximation (LDA),
  for the Generalized Gradient Approximation (GGA),
  for hybrid functionals (currently for potential and energies only), and for meta-GGA functionals (currently for energies only) are available.
• Spin: restricted or unrestricted
• Relativistic effects: scalar approximation and spin-orbit (double-group symmetry),
  using the (now recommended) ZORA or the (previously used) Pauli formalism
• Environment: Solvent Effects, Homogeneous Electric Field, Point Charges (Madelung Fields),
  QM/MM method