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A Low-Order Permutationally Invariant Polynomial Approach to Learning Potential Energy Surfaces Using the Bond-Order Charge-Density Matrix: Application to C N Clusters for N=3-10, 20

Jose Gutierrez-Cardenas, Benjamin D. Gibbas, Kyle Whitaker,Martina Kaledin,Alexey L. Kaledin

JOURNAL OF PHYSICAL CHEMISTRY A(2024)

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