Could you list any programs that can do non-orthogonal CI please?


To start with, we do have:

  1. LUCIA, a Correlation Program, 2019, developed by Kähler and Olsen. Nonorthogonal internally contracted multi-configurational perturbation theory and Dynamic correlation for nonorthogonal reference states.
  2. Q-CHEM.
  3. GronOR: Massively parallel and GPU- accelerated non-orthogonal configuration interaction for large molecular systems.
  4. 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.
  5. ... continue the list ...

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