Density-inversion method for the Kohn–Sham potential: Role of the screening density TJ Callow, NN Lathiotakis, NI Gidopoulos The Journal of chemical physics 152 (16), 2020 | 23 | 2020 |
First-principles derivation and properties of density-functional average-atom models TJ Callow, SB Hansen, E Kraisler, A Cangi Physical Review Research 4 (2), 023055, 2022 | 13 | 2022 |
Improving the exchange and correlation potential in density-functional approximations through constraints TJ Callow, BJ Pearce, T Pitts, NN Lathiotakis, MJP Hodgson, ... Faraday Discussions 224, 126-144, 2020 | 7 | 2020 |
Improved calculations of mean ionization states with an average-atom model TJ Callow, E Kraisler, A Cangi Physical Review Research 5 (1), 013049, 2023 | 6 | 2023 |
Optimal power series expansions of the Kohn–Sham potential TJ Callow, NI Gidopoulos The European Physical Journal B 91 (10), 209, 2018 | 6 | 2018 |
Density functionals with spin-density accuracy for open shells TJ Callow, B Pearce, NI Gidopoulos The Journal of Chemical Physics 156 (11), 2022 | 4 | 2022 |
atoMEC: An open-source average-atom Python code TJ Callow, D Kotik, E Kraisler, A Cangi Proceedings of the 21st Python in Science Conference, 37-45, 2022 | 2 | 2022 |
atoMEC T Callow, D Kotik, E Tsvetoslavova Stankulova, E Kraisler, A Cangi https://zenodo.org/record/5205718, 2021 | 2 | 2021 |
Systematic routes to improved approximations in Kohn–Sham theory T CALLOW Durham University, 2020 | 2 | 2020 |
Physics-enhanced neural networks for equation-of-state calculations TJ Callow, J Nikl, E Kraisler, A Cangi Machine Learning: Science and Technology 4 (4), 045055, 2023 | | 2023 |