To Do ListΒΆ

  • Analytical Hartree-Fock gradients for molecular and periodic CCM calculations Development of a new weighting scheme based on spheres
  • Implementation of the Split-RI-chain-of-spheres algorithm (RIJCOSX)
  • Approximate inclusion of long-range Coulomb interactions via Ewald summation
  • Solve linear dependency via canonical orthogonalization (Cutoff for small entries in the overlap matrix that lead to indefinite matrices) or new algorithms

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