People

Stephen Dale
Designation
Senior Research Fellow
Degree
PhD
Research Interests
Density Functional Theory; Localised Electrons; Defects
Research Group
Office Location
S6 level 4
Selected Publications
- Bryenton, Kyle R; Adeleke, Adebayo A; Dale, Stephen G; Johnson, Erin R. Delocalization error: The greatest outstanding challenge in density-functional theory. WIRES. 23 (2), e1631, 2023.
- LeBlanc, Luc M; Dale, Stephen G; Taylor, Christopher R; Becke, Axel D; Day, Graeme M; Johnson, Erin R. Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid–Base Co-Crystals. 130 (45), 15122. Angewandte Chemie. 2018.
- Dale, Stephen G; Johnson, Erin R. Theoretical descriptors of electrides. The Journal of Physical Chemistry A. 122 (49), 9371. 2018
Gould, Tim; Hashimi, Zahed; Kronik, Leeor; Dale, Stephen G. Single Excitation Energies Obtained from the Ensemble “HOMO–LUMO Gap”: Exact Results and Approximations. The Journal of Physical Chemistry Letters. 13 (10), 2452. 2022.