Diagrammatic Multiplet-Sum Method (MSM) Density-Functional Theory (DFT): II. Completion of the Two-Orbital Two-Electron Model (TOTEM) with an Application to the Avoided Crossing in Lithium Hydride (Li
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posted on 2025-04-11, 13:57 authored by Mark Casida, Abraham Ponra, Carolyne BAKASA, Anne ETINDELE1. Author Contributions
2. Particle Number Derivative Discontinuity
3. Python Programs
4. Results for Other Functionals
