2024
DOI: 10.1039/d3cp05759c
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Analysis of two overlapping fragmentation approaches in density matrix construction: GMBE-DM vs. ADMA

Francisco Ballesteros,
Ka Un Lao

Abstract: In this study, we conduct a comparative analysis of two density matrix construction methods: the generalized many-body expansion for building density matrices (GMBE-DM) based on the set-theoretical principle of inclusion/exclusion...

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