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New approaches to study excited states in density functional theory: general discussion.
Faraday Discuss. 2020 Dec 4;224(0):483-508. doi: 10.1039/D0FD90026E.
Faraday Discuss. 2020.
PMID: 33245076
No abstract available.
Improving the exchange and correlation potential in density-functional approximations through constraints.
Callow TJ , Pearce BJ , Pitts T , Lathiotakis NN , Hodgson MJP , Gidopoulos NI .
Callow TJ , et al. Among authors: hodgson mjp.
Faraday Discuss. 2020 Dec 4;224(0):126-144. doi: 10.1039/d0fd00069h.
Faraday Discuss. 2020.
PMID: 32940317
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From Kohn-Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential.
Kraisler E, Hodgson MJP, Gross EKU.
Kraisler E, et al. Among authors: hodgson mjp.
J Chem Theory Comput. 2021 Mar 9;17(3):1390-1407. doi: 10.1021/acs.jctc.0c01093. Epub 2021 Feb 17.
J Chem Theory Comput. 2021.
PMID: 33595312
Free PMC article.
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How Interatomic Steps in the Exact Kohn-Sham Potential Relate to Derivative Discontinuities of the Energy.
Hodgson MJP, Kraisler E, Schild A, Gross EKU.
Hodgson MJP, et al.
J Phys Chem Lett. 2017 Dec 21;8(24):5974-5980. doi: 10.1021/acs.jpclett.7b02615. Epub 2017 Dec 1.
J Phys Chem Lett. 2017.
PMID: 29179553
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Electron localisation in static and time-dependent one-dimensional model systems.
Durrant TR, Hodgson MJP, Ramsden JD, Godby RW.
Durrant TR, et al. Among authors: hodgson mjp.
J Phys Condens Matter. 2018 Feb 14;30(6):065901. doi: 10.1088/1361-648X/aaa4cd.
J Phys Condens Matter. 2018.
PMID: 29297470
Free article.
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