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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000614795> ?p ?o ?g. }

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• W2000614795 abstract "We present an energy expression for restricted open-shell Kohn–Sham theory for N unpaired electrons. It is shown that it is possible to derive an explicit energy expression for all low-spin multiplets of systems that exhibit neither radial nor cylindrical symmetry. The approach was implemented in the CPMD code and tested for iron complexes." @default.
• W2000614795 created "2016-06-24" @default.
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• W2000614795 date "2010-08-01" @default.
• W2000614795 modified "2023-10-18" @default.
• W2000614795 title "Restricted open-shell Kohn–Sham theory: N unpaired electrons" @default.
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• W2000614795 doi "https://doi.org/10.1016/j.chemphys.2010.05.031" @default.
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