ADF
The molecular DFT engine in AMS uses Slater-type orbitals and offers relativistic calculations, spectroscopy and detailed chemical-bonding analysis.
Where it fits
Transition-metal and heavy-element molecules, energy decomposition and spectroscopic interpretation.
Limits and practical considerations
Fragment definitions influence bonding analyses; choose relativistic and frozen-core treatments consistently.
Licensing and access
An SCM-licensed AMS engine; access depends on the purchased or trial module entitlement.
Official documentation and project
Official documentation and sources
- www.scm.com/amsterdam-modeling-suite/adf
- www.scm.com/pricing-and-licensing/scm-license-terms
- qchem.pw/commercial/adf.html
- www.scm.com/doc/ADF/index.html