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Award ID contains: 1762320

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  1. ; ; (, The Journal of Chemical Physics)
    Projected Hartree–Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly correlated systems. On the other hand, single-reference methods, such as configuration interaction or coupled cluster theory, can handle weakly correlated problems but cannot properly account for strong correlations. Ideally, we would like to combine these techniques in a symmetry-projected coupled cluster approach, but this is far from straightforward. In this work, we provide an alternative formulation to identify the so-called disentangled cluster operators, which arise when we combine these two methodological strands. Our formulation shows promising results for model systems and small molecules. 
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  2. (, Proceedings of the National Academy of Sciences)
  3. ; ; ; (, The Journal of Chemical Physics)
  4. ; (, The Journal of Chemical Physics)
  5. ; ; (, Journal of Chemical Theory and Computation)
    Full Text Available 
  6. ; ; (, The Journal of Chemical Physics)
  7. ; (, The Journal of Chemical Physics)
  8. ; ; ; (, Physical Review C)