To Do List
- 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