25 citations · 27 across the 3 of their papers we have counts for
3 papers
physics.comp-ph2014★ 25 cited
Linear Scaling Density Matrix Real Time TDDFT: Propagator Unitarity \& Matrix Truncation
Conn O'Rourke, David R. Bowler
Real time, density matrix based, time dependent density functional theory proceeds through the propagation of the density matrix, as opposed to the Kohn-Sham orbitals. It is possib…
cond-mat.mtrl-sci2014★ 2 cited
Intrinsic Oxygen Vacancy and Extrinsic Aluminium Dopant Interplay: A Route to the Restoration of Defective TiO
Conn O'Rourke, David R. Bowler
Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO and the anatase (101) surf…
cond-mat.mtrl-sci2014
DSSC Anchoring Groups: A Surface Dependent Decision
Conn O'Rourke, David R. Bowler
Electrodes in dye sensitised solar cells (DSSCs) are typically nanocrystalline anatase TiO2 with a majority (101) surface exposed. Generally the sensitising dye employs a carboxyli…