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  • Model Hamiltonians

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
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    • 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
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