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April 23, 2024Open Access

Density Fitted Fragment Embedding – Principles and Applications

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YSYi Sun

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Yi Sun (2024) studied this question.

synapsesocial.com/papers/68e6e098b6db64358765bf93https://doi.org/10.26434/chemrxiv-2024-0cb84-v3
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  1. 1Accelerating Density Matrix Embedding with Stochastic Density Fitting Theory – An Application to Hydrogen Bonded Clusters2024
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  4. 4Automatic Molecule Fragmentation for Density Matrix Embedding Theory2025
  5. 5Toward a Full Configurational Accuracy Calculation of an Arbitrary Molecule via Fragment Embedding and a Stochastic Solver2024 · 8 citations