Could you list any programs that can do non-orthogonal CI please?
To start with, we do have:
- LUCIA, a Correlation Program, 2019, developed by Kähler and Olsen. Nonorthogonal internally contracted multi-configurational perturbation theory and Dynamic correlation for nonorthogonal reference states.
- GronOR: Massively parallel and GPU- accelerated non-orthogonal configuration interaction for large molecular systems.
- TURTLE, an Ab ignition VB/VBSCF Program, 1988-2000, developed by J. Verbeek, J. H. Langenberg, C. P. Byrman, F. Dijkstra, and J. H. van Lenthe.
- ... continue the list ...