Model Hamiltonians¶
- See also:ADF-GUI tutorial: multi-level calculations, spin-orbit couplingQM/MM manual: QM/MM manual
- Electronic Configuration
- Density Functionals (XC)
- Relativistic effects
- Solvents and other environments
- COSMO: Conductor like Screening Model
- SM12: Solvation Model 12
- QM/MM: Quantum mechanical and Molecular Mechanics model
- Quild
- DIM/QM: Discrete Interaction Model/Quantum Mechanics
- FDE: Frozen Density Embedding
- SCRF: Self-Consistent Reaction Field
- VSCRF: Vertical Excitation Self-Consistent Reaction Field
- 3D-RISM: 3D reference Interaction Site Model
- Electric Field: Homogeneous, Point Charges, Polarizability