Tom J. P. Irons

activity

20162026

most citedInterpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT

42 citations · 88 across the 11 of their papers we have counts for

collaborators

Showing 2023Show all

2 papers · 1 filter

physics.chem-ph2023★ 5 cited

Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields

Benedicte Sverdrup Ofstad, Meilani Wibowo-Teale, Håkon Emil Kristiansen +8

We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation expansions in the magnetic-f…

physics.chem-ph2023

Capturing the electron-electron cusp with the coupling-constant averaged exchange-correlation hole: A case study for Hooke's atoms

Lin Hou, Tom J. P. Irons, Yanyong Wang +3

In density functional theory the exchange-correlation (XC) energy functional can be defined exactly through the coupling-constant ( $λ$ ) averaged XC hole $\bar{n}_\text{xc}(\mathbf{…