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The last 5 uploaded publications
Tackling the one-electron self-interaction error within the semilocal density functional framework
Akilan Ramasamy, Lin Hou, Jorge Vega Bazantes, Tom J. P. Irons, Andrew M. Teale, Timo Lebeda, Jianwei Sun (2025). Tackling the one-electron self-interaction error within the semilocal density functional framework. , 112(16), DOI: https://doi.org/10.1103/dkf7-jkb4.
Article65 days agoCapturing 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, James W. Furness, Andrew M. Teale, Jianwei Sun (2024). Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for Hooke’s atoms. , 160(1), DOI: https://doi.org/10.1063/5.0173370.
Article65 days agoAb Initio Calculation of Coupling-Constant Averaged Exchange–Correlation Holes for Spherically Symmetric Atoms
Lin Hou, Tom J. P. Irons, Yanyong Wang, James W. Furness, Andrew M. Teale, Jianwei Sun (2024). Ab Initio Calculation of Coupling-Constant Averaged Exchange–Correlation Holes for Spherically Symmetric Atoms. , 128(39), DOI: https://doi.org/10.1021/acs.jpca.4c02717.
Article65 days agoCoupling-Constant Averaged Exchange-Correlation Hole for He, Li, Be, N, Ne Atoms from CCSD
Lin Hou, Tom J. P. Irons, Yanyong Wang, James W. Furness, Andrew M. Teale, Jianwei Sun (2024). Coupling-Constant Averaged Exchange-Correlation Hole for He, Li, Be, N, Ne Atoms from CCSD. , DOI: https://doi.org/10.48550/arxiv.2403.17424.
Preprint65 days agoExact constraints and appropriate norms in machine-learned exchange-correlation functionals
Kanun Pokharel, James W. Furness, Yi Yao, Volker Blüm, Tom J. P. Irons, Andrew M. Teale, Jianwei Sun (2022). Exact constraints and appropriate norms in machine-learned exchange-correlation functionals. , 157(17), DOI: https://doi.org/10.1063/5.0111183.
Article65 days ago