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• W4380031912 abstract "We present a mathematical analysis of the spin-constrained Hartree–Fock solutions (CHF) of the 2-site Hubbard model. The analysis sheds light on the spin-symmetry breaking process around the Coulson–Fischer point. CHF states are useful as input states for the generator coordinate method (GCM) in which CHF states can be used as a basis for multiconfigurational calculations in the Hill–Wheeler equations. The spin degree of freedom provides the generator coordinate in the GCM related to static electron correlation." @default.
• W4380031912 created "2023-06-10" @default.
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• W4380031912 date "2023-01-01" @default.
• W4380031912 modified "2023-09-27" @default.
• W4380031912 title "Spin-constrained Hartree–Fock and the generator coordinate method for the 2-site Hubbard model" @default.
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• W4380031912 doi "https://doi.org/10.1016/bs.aiq.2023.03.014" @default.
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