Model Hamiltonians

XC energy functionals and potentials

ADFinput: Select Main and select the desired SCF potential for 'XC potential in SCF'. Select for METAGGA or hybrid functional energies after SCF the corresponding box
ADFUsersGuide: XC [1].

Relativistic effects (ZORA and spin-orbit coupling)

ADFinput: Select Main. Select 'None', 'Scalar, or 'Spin-Orbit' for 'Relativity'.
ADFUsersGuide: relativity [1].

Solvents and other environments

ADFinput: COSMO, SCRF: Select Model → Solvation. Select the desired method for 'Solvation method'. Select the desired solvent for 'Solvent'.
ADFinput: FDE, QM/MM, Quild: Multilevel → FDE, ADF → QMMM, ADF → Quild.
ADFinput: DRF, 3D-RISM: no direct GUI support.
ADFUsersGuide: COSMO [1], SCRF [1], QM/MM [1], DRF [1], FDE [1], 3D-RISM [1], Quild [1].

Homogeneous electric field and point charges

ADFinput: Select Model → Electric field. Enter the values of the homogeneous electric field in the menu 'Electric field - '. Enter the coordinates and values of the point charges in the text box.
ADFUsersGuide: EField [1]

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