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September 5, 2024

A Reduced Scaling Approach to Obtaining Embedding Orbital Coefficients: Benchmarking DMET-CCSD(T) Relative Energies in Water Clusters

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YSYi Sun

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Yi Sun (2024) studied this question.

synapsesocial.com/papers/68e59453b6db64358752fe0ehttps://doi.org/10.26434/chemrxiv-2024-djs2b
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  3. 3Accelerating Density Matrix Embedding with Stochastic Density Fitting Theory: An Application to Hydrogen Bonded Clusters2024 · 1 citations
  4. 4State-Averaged Density Matrix Embedding Theory for Local Excitations2026
  5. 5Equation‐of‐motion orbital‐optimized coupled‐cluster doubles method with the density‐fitting approximation: An efficient implementation2024