Density functionals with spin-density accuracy for open shells
Callow, Timothy J., Pearce, Benjamin, Gidopoulos, Nikitas I.
Published in The Journal of chemical physics (21.03.2022)
Published in The Journal of chemical physics (21.03.2022)
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Journal Article
Optimal power series expansions of the Kohn–Sham potential
Callow, Timothy J., Gidopoulos, Nikitas I.
Published in The European physical journal. B, Condensed matter physics (01.10.2018)
Published in The European physical journal. B, Condensed matter physics (01.10.2018)
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Journal Article
Physics-enhanced neural networks for equation-of-state calculations
Callow, Timothy J, Nikl, Jan, Kraisler, Eli, Cangi, Attila
Published in Machine learning: science and technology (01.12.2023)
Published in Machine learning: science and technology (01.12.2023)
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Journal Article
Improving the exchange and correlation potential in density-functional approximations through constraints
Callow, Timothy J, Pearce, Benjamin J, Pitts, Tom, Lathiotakis, Nektarios N, Hodgson, Matthew J. P, Gidopoulos, Nikitas I
Published in Faraday discussions (04.12.2020)
Published in Faraday discussions (04.12.2020)
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Journal Article
Improved calculations of mean ionization states with an average-atom model
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Paper
Journal Article
Physics-enhanced neural networks for equation-of-state calculations
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Paper
Journal Article
First-principles derivation and properties of density-functional average-atom models
Callow, Timothy J, Hansen, Stephanie B, Kraisler, Eli, Cangi, Attila
Published in arXiv.org (02.03.2022)
Published in arXiv.org (02.03.2022)
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Journal Article
Density-inversion method for the Kohn-Sham potential: role of the screening density
Callow, Timothy J, Lathiotakis, Nektarios N, Gidopoulos, Nikitas I
Published in arXiv.org (08.04.2020)
Published in arXiv.org (08.04.2020)
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Paper
Journal Article
Improving the exchange and correlation potential in density functional approximations through constraints
Callow, Timothy J, Pearce, Benjamin J, Pitts, Tom, Lathiotakis, Nektarios N, Hodgson, Matthew J P, Gidopoulos, Nikitas I
Published in arXiv.org (26.07.2021)
Published in arXiv.org (26.07.2021)
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Journal Article