Resolution-of-the-Identity (Density Fitting) Features

  • Efficient parallel implementations of RI-J and (occ-)RI-K;

  • Analytic gradients for RI-J and (occ-)RI-K;

  • Analytic frequencies for RI-J for pure DFT functionals;

  • Efficient parallel implementation of RI-MP2;

  • Analytic gradients for RI-MP2;

  • RI evaluation of double hybrid density functionals;

  • RI-CIS(D) implementation;

  • RI and Cholesky implementations of many-body methods for ground and excited states from the ADC and CC/EOM-CC family;

  • Analytic gradients and properties for RI/CD CCSD and EOM-CCSD;

  • Built-in RI versions of the Karlsruhe and Dunning basis sets.

occ-RI-K for Exact Exchange