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Schulte, Marius, Frank, Irmgard (2010) Restricted open-shell Kohn–Sham theory: N unpaired electrons. Chemical Physics, 373. 283-288 doi:10.1016/j.chemphys.2010.05.031

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Reference TypeJournal (article/letter/editorial)
TitleRestricted open-shell Kohn–Sham theory: N unpaired electrons
JournalChemical Physics
AuthorsSchulte, MariusAuthor
Frank, IrmgardAuthor
Year2010 (August)Volume373
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2010.05.031Search in ResearchGate
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Mindat Ref. ID5962360Long-form Identifiermindat:1:5:5962360:9
GUID0
Full ReferenceSchulte, Marius, Frank, Irmgard (2010) Restricted open-shell Kohn–Sham theory: N unpaired electrons. Chemical Physics, 373. 283-288 doi:10.1016/j.chemphys.2010.05.031
Plain TextSchulte, Marius, Frank, Irmgard (2010) Restricted open-shell Kohn–Sham theory: N unpaired electrons. Chemical Physics, 373. 283-288 doi:10.1016/j.chemphys.2010.05.031
In(n.d.) Chemical Physics Vol. 373. Elsevier BV

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Nonnenberg, Christel, Bräuchle, Christoph, Frank, Irmgard (2005) Restricted open-shell Kohn–Sham theory for π–π* transitions. III. Dynamics of aggregates. The Journal of Chemical Physics, 122 (1). 14311pp. doi:10.1063/1.1829053
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Grimm, Stephan, Nonnenberg, Christel, Frank, Irmgard (2003) Restricted open-shell Kohn–Sham theory for π–π* transitions. I. Polyenes, cyanines, and protonated imines. The Journal of Chemical Physics, 119 (22). 11574-11584 doi:10.1063/1.1623742
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Billeter, Salomon R., Egli, Daniel (2006) Calculation of nonadiabatic couplings with restricted open-shell Kohn-Sham density-functional theory. The Journal of Chemical Physics, 125 (22). 224103pp. doi:10.1063/1.2360261
Filatov, Michael, Shaik, Sason (1999) Application of spin-restricted open-shell Kohn–Sham method to atomic and molecular multiplet states. The Journal of Chemical Physics, 110 (1). 116-125 doi:10.1063/1.477941
Langer, Holger, Doltsinis, Nikos L. (2003) Excited state tautomerism of the DNA base guanine: A restricted open-shell Kohn–Sham study. The Journal of Chemical Physics, 118 (12). 5400-5407 doi:10.1063/1.1555121
Kowalczyk, Tim, Tsuchimochi, Takashi, Chen, Po-Ta, Top, Laken, Van Voorhis, Troy (2013) Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach. The Journal of Chemical Physics, 138 (16). 164101pp. doi:10.1063/1.4801790
Erhard, Jannis, Trushin, Egor, Görling, Andreas (2025) Kohn–Sham inversion for open-shell systems. The Journal of Chemical Physics, 162 (3). doi:10.1063/5.0239422
J. Tozer, David, C. Handy, Nicholas, J. Cohen, Aron (2003) Fractional numbers of electrons in Kohn–Sham theory. Chemical Physics Letters, 382. 203-210 doi:10.1016/j.cplett.2003.10.025
 
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