| Exchange–correlation functionals via local interpolation along the adiabatic connection S Vuckovic, TJP Irons, A Savin, AM Teale, P Gori-Giorgi Journal of chemical theory and computation 12 (6), 2598-2610, 2016 | 54 | 2016 |
| Analyzing magnetically induced currents in molecular systems using current-density-functional theory TJP Irons, L Spence, G David, BT Speake, T Helgaker, AM Teale The Journal of Physical Chemistry A 124 (7), 1321-1333, 2020 | 46 | 2020 |
| Efficient calculation of molecular integrals over London atomic orbitals TJP Irons, J Zemen, AM Teale Journal of Chemical Theory and Computation 13 (8), 3636-3649, 2017 | 45 | 2017 |
| Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT S Vuckovic, TJP Irons, LO Wagner, AM Teale, P Gori-Giorgi Physical Chemistry Chemical Physics 19 (8), 6169-6183, 2017 | 36 | 2017 |
| Optimizing molecular geometries in strong magnetic fields TJP Irons, G David, AM Teale Journal of Chemical Theory and Computation 17 (4), 2166-2185, 2021 | 31 | 2021 |
| Modeling ultrafast electron dynamics in strong magnetic fields using real-time time-dependent electronic structure methods M Wibowo, TJP Irons, AM Teale Journal of Chemical Theory and Computation 17 (4), 2137-2165, 2021 | 30 | 2021 |
| Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy-and Variance-Based Approaches G David, TJP Irons, AEA Fouda, JW Furness, AM Teale Journal of Chemical Theory and Computation 17 (9), 5492-5508, 2021 | 19 | 2021 |
| Revealing the exotic structure of molecules in strong magnetic fields MJ Pemberton, TJP Irons, T Helgaker, AM Teale The Journal of Chemical Physics 156 (20), 2022 | 12 | 2022 |
| Extending conceptual DFT to include external variables: the influence of magnetic fields R Francotte, TJP Irons, AM Teale, F De Proft, P Geerlings Chemical Science 13 (18), 5311-5324, 2022 | 12 | 2022 |
| Robust all-electron optimization in orbital-free density-functional theory using the trust-region image method MS Ryley, M Withnall, TJP Irons, T Helgaker, AM Teale The Journal of Physical Chemistry A 125 (1), 459-475, 2020 | 12 | 2020 |
| Exact constraints and appropriate norms in machine-learned exchange-correlation functionals K Pokharel, JW Furness, Y Yao, V Blum, TJP Irons, AM Teale, J Sun The Journal of Chemical Physics 157 (17), 2022 | 10 | 2022 |
| Topological analysis of magnetically induced current densities in strong magnetic fields using stagnation graphs TJP Irons, A Garner, AM Teale Chemistry 3 (3), 916-934, 2021 | 10 | 2021 |
| The coupling constant averaged exchange–correlation energy density TJP Irons, AM Teale Molecular Physics 114 (3-4), 484-497, 2016 | 10 | 2016 |
| Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method M Wibowo, BC Huynh, CY Cheng, TJP Irons, AM Teale Molecular Physics 121 (7-8), e2152748, 2023 | 5 | 2023 |
| Connections between variation principles at the interface of wave-function and density-functional theories TJP Irons, JW Furness, MS Ryley, J Zemen, T Helgaker, AM Teale The Journal of chemical physics 147 (13), 2017 | 5 | 2017 |
| Challenges for large scale simulation: general discussion JG Brandenburg, K Burke, B Civalleri, DJ Cole, G Csányi, G David, ... Faraday Discussions 224, 309-332, 2020 | 3 | 2020 |
| Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study TJP Irons, BC Huynh, AM Teale, F De Proft, P Geerlings Molecular Physics, e2145245, 2022 | 2 | 2022 |
| An Embedded Fragment Method for Molecules in Strong Magnetic Fields BT Speake, TJP Irons, M Wibowo, AG Johnson, G David, AM Teale Journal of Chemical Theory and Computation 18 (12), 7412-7427, 2022 | 2 | 2022 |
| Coupling-Constant Averaged Exchange-Correlation Hole for He, Li, Be, N, Ne Atoms from CCSD L Hou, TJP Irons, Y Wang, JW Furness, AM Wibowo-Teale, J Sun arXiv preprint arXiv:2403.17424, 2024 | | 2024 |
| The coupling-constant-averaged exchange-correlation hole of spherical atoms calculated from the effective potential derived from the coordinate-scaling relation Y Wang, T JP Irons, L Hou, A Teale, J Sun Bulletin of the American Physical Society, 2024 | | 2024 |
Andrew M. TealeProfessor, University of NottinghamVerified email at nottingham.ac.uk
