D. O’Regan

activity

20102026

most citedLiquid exfoliation of solvent-stabilised black phosphorus: applications beyond electronics

1.1k citations · 2.4k across the 39 of their papers we have counts for

collaborators

Showing 2017Show all

2 papers · 1 filter

cond-mat.str-el2017★ 4 cited

A self-consistent ground-state formulation of the first-principles Hubbard U parameter validated on one-electron self-interaction error

Glenn Moynihan, Gilberto Teobaldi, David D. O'Regan

In electronic structure methods based on the correction of approximate density-functional theory (DFT) for systematic inaccuracies, Hubbard $U$ parameters may be used to quantify a…

cond-mat.str-el2017★ 16 cited

TDDFT+ $U$ : Hubbard corrected approximate density-functional theory in the excited-state regime

Okan K. Orhan, David D. O'Regan

We develop a generalization of the Kohn-Sham density functional theory (KS-DFT) + Hubbard $U$ (DFT+ $U$ ) method to the excited-state regime. This has the form of Hubbard $U$ correct…

A self-consistent ground-state formulation of the first-principles Hubbard U parameter validated on one-electron self-interaction error

TDDFT+U: Hubbard corrected approximate density-functional theory in the excited-state regime

TDDFT+ $U$ : Hubbard corrected approximate density-functional theory in the excited-state regime