Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree-Fock potentials (Q1936757)

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Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree-Fock potentials
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    Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree-Fock potentials (English)
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    7 February 2013
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    restricted open-shell Hartree-Fock (ROHF) solutions
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    doublet instability
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    Pariser-Parr-Pople Hamiltonian
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    allyl radical \(\pi\)-electron model
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    symmetry breaking
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    potential energy surfaces
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    swallowtail or Whitney-fold singularity
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