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TURBOMOLE - Features at a Glance

  • All standard and state of the art methods for ground state calculations
    • very fast molecular and periodic DFT codes
    • very efficient Coupled-Cluster-F12 implementation
  • Excited state calculations at different levels (full RPA, TDDFT, ADC(2), CC2…)
  • Many unique functionalities for excited states at the DFT and CC2 level
  • Broad support for symmetry and relativistic effects
  • Structure optimizations and molecular dynamics calculations
  • Various properties and spectra
  • Fast and reliable code
  • Parallel version for all kind of jobs