M. E. Casida

activity

20102026

most citedProgress in Time-Dependent Density-Functional Theory

970 citations · 1.1k across the 16 of their papers we have counts for

collaborators

Showing 2023Show all

2 papers · 1 filter

physics.chem-ph2023

Test of the Orbital-Based LI3 Index as a Predictor of the Height of the $^{3}$ MLCT $\to$ $^{3}$ MC Transition-State Barrier for Gas-Phase [Ru(N $^{\land}$ N) $_{3}$ ] $^{2 +}$ Polypyridine Complexes

Denis Magero, Ala Aldin M. H. M. Darghouth, Mark E. Casida

Luminescence lifetimes of Ruthenium (II) polypyridine compounds is thought to be controlled by the barrier to conversion of triplet metal-ligand charge transfer ( $^{3}$ MLCT) state…

physics.chem-ph2023★ 4 cited

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

Abraham Ponra, Carolyne Bakasa, Anne Justine Etindele +1

Static correlation is a difficult problem for density-functional theory (DFT) as it arises in cases of degenerate or quasi-degenerate states where a multideterminantal wave functio…

Test of the Orbital-Based LI3 Index as a Predictor of the Height of the 3MLCT → 3MC Transition-State Barrier for Gas-Phase [Ru(N∧N)3​]2+ Polypyridine Complexes

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

Test of the Orbital-Based LI3 Index as a Predictor of the Height of the $^{3}$ MLCT $\to$ $^{3}$ MC Transition-State Barrier for Gas-Phase [Ru(N $^{\land}$ N) $_{3}$ ] $^{2 +}$ Polypyridine Complexes