A DF+RDMF/ACA method reduces RDMFT complexity via real-space Coulomb partitioning and adaptive bath clustering, stabilizing the bent structure of C3O2 in agreement with spectroscopy unlike PBE.
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2026 1verdicts
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Reducing the Complexity of Density-Matrix Functionals in a Real-Space-Decomposed DF+RDMF Scheme with the Adaptive Cluster Approximation
A DF+RDMF/ACA method reduces RDMFT complexity via real-space Coulomb partitioning and adaptive bath clustering, stabilizing the bent structure of C3O2 in agreement with spectroscopy unlike PBE.