Model Hamiltonians

• Density Functional (XC)
  • LDA/GGA/metaGGA
  • Dispersion Correction
  • Model Potentials
  • Non-Collinear Approach
  • LibXC Library Integration
  • Hartree-Fock
  • Range-separated hybrid functionals
  • Double hybrids, MP2 and RPA
  • Defaults and special cases
  • GGA+U
  • OEP
  • DFT-1/2
• Relativistic Effects and Spin
  • Spin polarization
  • Relativistic Effects
• Solvation
  • COSMO: Conductor like Screening Model and the Solvation-key
  • Additional keys for periodic systems
  • SM12: Solvation Model 12
• Electric and Magnetic Fields
  • Electric Field
  • Magnetic Field
  • Atom-wise fuzzy potential
• Nuclear Model