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- Q2995435 subject Q6563815.
- Q2995435 subject Q8221180.
- Q2995435 abstract "In computational chemistry, spin contamination is the artificial mixing of different electronic spin-states. This can occur when an approximate orbital-based wave function is represented in an unrestricted form – that is, when the spatial parts of α and β spin-orbitals are permitted to differ. Approximate wave functions with a high degree of spin contamination are undesirable. In particular, they are not eigenfunctions of the total spin-squared operator, Ŝ2, but can formally be expanded in terms of pure spin states of higher multiplicities (the contaminants).".
- Q2995435 wikiPageWikiLink Q1048589.
- Q2995435 wikiPageWikiLink Q1074890.
- Q2995435 wikiPageWikiLink Q1307821.
- Q2995435 wikiPageWikiLink Q133673.
- Q2995435 wikiPageWikiLink Q2225.
- Q2995435 wikiPageWikiLink Q2362761.
- Q2995435 wikiPageWikiLink Q2379331.
- Q2995435 wikiPageWikiLink Q3036629.
- Q2995435 wikiPageWikiLink Q3272140.
- Q2995435 wikiPageWikiLink Q3296863.
- Q2995435 wikiPageWikiLink Q3333601.
- Q2995435 wikiPageWikiLink Q3333602.
- Q2995435 wikiPageWikiLink Q3591840.
- Q2995435 wikiPageWikiLink Q369472.
- Q2995435 wikiPageWikiLink Q3834766.
- Q2995435 wikiPageWikiLink Q4775324.
- Q2995435 wikiPageWikiLink Q53860.
- Q2995435 wikiPageWikiLink Q598870.
- Q2995435 wikiPageWikiLink Q6563815.
- Q2995435 wikiPageWikiLink Q669056.
- Q2995435 wikiPageWikiLink Q7879841.
- Q2995435 wikiPageWikiLink Q8221180.
- Q2995435 wikiPageWikiLink Q902301.
- Q2995435 comment "In computational chemistry, spin contamination is the artificial mixing of different electronic spin-states. This can occur when an approximate orbital-based wave function is represented in an unrestricted form – that is, when the spatial parts of α and β spin-orbitals are permitted to differ. Approximate wave functions with a high degree of spin contamination are undesirable.".
- Q2995435 label "Spin contamination".