Solvents and other environments

The solvation methods SCRF (Self-Consistent Reaction Field) and VSCRF (Vertical Excitation SCRF) are no longer supported in ADF2024. In older versions it is available, see also the ADF 2023 manual on SCRF and VSCRF

• COSMO: Conductor like Screening Model
• SM12: Solvation Model 12
• Quild
• Hybrid Engine (QM/MM, QM/QM’)
• DIM/QM: Discrete Interaction Model/Quantum Mechanics
  • DRF
  • Surface-enhanced response properties
  • Input options
  • DRF atomic parameters
  • DIM atomic parameters
• QM/FQ: Quantum Mechanics/Fluctuating Charges (and Fluctuating Dipoles)
  • Gradients and Geometry optimization
  • Coupling with FDE
  • Input options
• QM/ωFQ: Quantum Mechanics/Frequency-dependent Fluctuating Charges (and Fluctuating Dipoles)
  • Input options
• FDE: Frozen Density Embedding
  • Fragment-specific FDE options
  • Kinetic energy approximants
  • General FDE options
  • Frozen Density Embedding with External Orthogonality
  • FDE and (localized) COSMO
  • FDE and QM/FQ(Fμ)
  • Subsystem TDDFT, coupled FDE
  • Restrictions and pitfalls
• 3D-RISM: 3D reference Interaction Site Model