People

Senior Research Fellow

Stephen Dale

Designation

Senior Research Fellow

Degree

PhD

Research Interests

Density Functional Theory; Localised Electrons; Defects

Research Group

Prof Giovanni Vignale

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.