Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree-Fock potentials
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Publication:1936757
DOI10.1007/s10910-012-0093-8zbMath1327.81306OpenAlexW1997977986MaRDI QIDQ1936757
Tokuei Sako, Geerd H. F. Diercksen, Xiangzhu Li, Josef Paldus
Publication date: 7 February 2013
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-012-0093-8
symmetry breakingpotential energy surfacesPariser-Parr-Pople Hamiltonianallyl radical \(\pi\)-electron modeldoublet instabilityrestricted open-shell Hartree-Fock (ROHF) solutionsswallowtail or Whitney-fold singularity
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