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20212026
most citedDiagrammatic Multiplet-Sum Method (MSM) Density-Functional Theory (DFT): Investigation of the Transferability of Integrals in "Simple" DFT-Based Approaches to Multi-Determinantal Problems

4 citations · 8 across the 7 of their papers we have counts for

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physics.chem-ph2021

Practical Treatment of Singlet Oxygen with Density-Functional Theory and the Multiplet-Sum Method

Abraham Ponra, Anne Justine Etindele, Ousmanou Motapon +1

Singlet oxygen (O2) comes in two flavors -- namely the dominant lower-energy a 1 Delta g state and the higher-energy shorter-lived b 1 Sigma + g state -- and plays a key role in ma…