Researcher profile · Semantic Scholar

Tom J. P. Irons

h-index: 10
Works: 29
Citations: 369

Most-cited papers

Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection
Stefan Vuckovic, Tom J. P. Irons, A. Savin, A. M. Teale +1 more
2016Journal of Chemical Theory and Computation52 citations Open access
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Efficient Calculation of Molecular Integrals over London Atomic Orbitals.
Tom J. P. Irons, J. Zemen, A. M. Teale
2017Journal of Chemical Theory and Computation45 citations Open access
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Optimizing Molecular Geometries in Strong Magnetic Fields
Tom J. P. Irons, G. David, A. M. Teale
2021Journal of Chemical Theory and Computation35 citations Open access
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Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods
Meilani Wibowo, Tom J. P. Irons, A. M. Teale
2021Journal of Chemical Theory and Computation30 citations Open access
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Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT.
Stefan Vuckovic, Tom J. P. Irons, Lucas Wagner, A. M. Teale +1 more
2017Physical Chemistry, Chemical Physics - PCCP28 citations Open access
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Analysing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory.
Tom J. P. Irons, Lucy Spence, G. David, Benjamin T. Speake +2 more
2020Journal of Physical Chemistry A27 citations Open access
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Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches.
G. David, Tom J. P. Irons, A. Fouda, J. Furness +1 more
2021Journal of Chemical Theory and Computation23 citations Open access
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Exact constraints and appropriate norms in machine-learned exchange-correlation functionals.
Kanun Pokharel, J. Furness, Yi Yao, V. Blum +3 more
2022Journal of Chemical Physics21 citations Open access
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Revealing the exotic structure of molecules in strong magnetic fields.
Miles J. Pemberton, Tom J. P. Irons, T. Helgaker, A. M. Teale
2022Journal of Chemical Physics20 citations Open access
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Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method.
Matthew S. Ryley, M. Withnall, Tom J. P. Irons, T. Helgaker +1 more
2020Journal of Physical Chemistry A12 citations Open access
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The coupling constant averaged exchange–correlation energy density
Tom J. P. Irons, A. M. Teale
201510 citations Open access
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Topological Analysis of Magnetically Induced Current Densities in Strong Magnetic Fields Using Stagnation Graphs
Tom J. P. Irons, Adam Garner, A. M. Teale
2021Chemistry8 citations Open access
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Extending conceptual DFT to include external variables: the influence of magnetic fields
Robin Francotte, Tom J. P. Irons, A. M. Teale, F. De Proft +1 more
2022Chemical Science7 citations Open access
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An Embedded Fragment Method for Molecules in Strong Magnetic Fields
Benjamin T. Speake, Tom J. P. Irons, Meilani Wibowo, Andrew G Johnson +2 more
2022Journal of Chemical Theory and Computation7 citations Open access
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Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method
Meilani Wibowo, B. Huynh, Chi Y. Cheng, Tom J. P. Irons +1 more
2022Molecular Physics7 citations Open access
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Capturing the electron-electron cusp with the coupling-constant averaged exchange-correlation hole: A case study for Hooke's atoms.
Lingzi Hou, Tom J. P. Irons, Yanyong Wang, J. Furness +2 more
2023Journal of Chemical Physics6 citations Open access
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Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study
Tom J. P. Irons, B. Huynh, A. M. Teale, F. De Proft +1 more
2022Molecular Physics6 citations Open access
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Magnetic optical rotation from real-time simulations in finite magnetic fields.
B. S. Ofstad, Meilani Wibowo-Teale, H. E. Kristiansen, E. Aurbakken +8 more
2023Journal of Chemical Physics5 citations Open access
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Ab initio investigation of the Cr substitutional defect in α-quartz for quantum applications
P. Filippatos, Tom J. P. Irons, L. Tsoukalas, A. Chroneos
2025Journal of Applied Physics4 citations Open access
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Tackling the one-electron self-interaction error within the semilocal density functional framework
Akilan Ramasamy, Lingzi Hou, J. V. Bazantes, Tom J. P. Irons +3 more
2024Physical review B4 citations Open access
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Connections between variation principles at the interface of wave-function and density-functional theories.
Tom J. P. Irons, J. Furness, Matthew S. Ryley, J. Zemen +2 more
2017Journal of Chemical Physics4 citations Open access
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Challenges for large scale simulation: general discussion.
J. G. Brandenburg, K. Burke, B. Civalleri, Daniel J. Cole +23 more
2020Faraday discussions3 citations Open access
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Revisiting intrinsic spin defects in hexagonal boron nitride with r2SCAN
P. Filippatos, Tom J. P. Irons, Katherine Inzani
20252 citations
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Polar Topologies in a Ferroelastic Metal Membrane
Rahil Haria, Noah Schnitzer, T. Ben Britton, Yaqi Li +9 more
20261 citations
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Ab Initio Calculation of Coupling-Constant Averaged Exchange–Correlation Holes for Spherically Symmetric Atoms
Lingzi Hou, Tom J. P. Irons, Yan-Yong Wang, J. Furness +2 more
2024Journal of Physical Chemistry A1 citations Open access
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How Semilocal Are Semilocal Density Functional Approximations? —Tackling Self-Interaction Error in One-Electron Systems
Akilan Ramasamy, Lingzi Hou, J. V. Bazantes, Tom J. P. Irons +2 more
1 citations
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Quantum Sensing for Spatial Spin Noise Mapping via Nitrogen-Vacancy Magnetic Quenching in Diamond
Ashley J. Tyler, T. D. Bateman-Price, Bradley T. Flinn, W. J. Cull +3 more
20260 citations
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Energy densities: a systematic approach to correlation in density functional theory
Tom J. P. Irons
20190 citations
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Voluntary Unionism versus Solidarity - Restricting a Union Member's Right to Resign: Pattern Makers' League of North America v. National Labor Relations Board
Tom J. P. Irons
1986Southwestern law journal0 citations Open access
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Jian-Wei Sun

×5

Andrew M. Wibowo-Teale×5

Lingzi Hou×4

Meilani Wibowo×3

Stefan Vuckovic×2

A. Savin×2

P. Gori-Giorgi×2

J. Zemen×2