Browsing Johnson, Erin R. by Author "e29b221f-a58c-40e5-bf3a-518f041bf97f"
Now showing items 1-6 of 6
-
Becke's virial exciton model gives accurate charge-transfer excitation energies
Feng, Xibo, Becke, Axel, Johnson, Erin. (2018). Becke's virial exciton model gives accurate charge-transfer excitation energies. J. Chem. Phys. 149, 231101 (2018). doi.org/10.1063/1.5078515 -
Correct charge transfer in CT complexes from the Becke’05 density functional
Becke, Axel; Dale, Stephen; and Johnson, Erin. (2018) Correct charge transfer in CT complexes from the Becke’05 density functional. JJournal of Chemical Physics, 148, 211101. https://doi.org/10.1063/1.5039742 -
Density-functional description of alkalides: Introducing the alkalide state
Dale, Stephen; Becke, Axel; and Johnson, Erin. (2018). Density-functional description of alkalides: Introducing the alkalide state. Physical Chemistry Chemical Physics, 20, 26710-26718 .http://dx.doi.org/10.1039/C8CP04014A -
DFT treatment of strong correlation in 3d transition-metal diatomics
Becke, Axel; and Johnson, Erin, (2017). DFT treatment of strong correlation in 3d transition-metal diatomics. Journal of Chemical Physics, 146, 211105. https://doi.org/10.1063/1.4985084 -
Interrogating the Becke’05 density functional for non-locality information
J. Chem. Phys. 147, 154103 (2017) -
Pervasive delocalisation error causes spurious proton transfer in organic acid‐base co‐crystals
LeBlanc, Luc; Dale, Stephen; Angew. Taylor, Christopher; Becke, Axel; Day, Graeme; and Johnson, Erin.(2018). Angewandte Chemie International Edition, 57, 14906-14910. https://doi.org/10.1002/anie.201809381