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

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

zbMATH Keywords

symmetry breakingpotential energy surfacesPariser-Parr-Pople Hamiltonianallyl radical \(\pi\)-electron modeldoublet instabilityrestricted open-shell Hartree-Fock (ROHF) solutionsswallowtail or Whitney-fold singularity

Mathematics Subject Classification ID

Symmetry breaking in quantum theory (81R40) Atomic physics (81V45)

Cites Work

• Approximate symmetry-breaking in the independent particle model of monocyclic completely conjugated polyenes
• Stability conditions and nuclear rotations in the Hartree-Fock theory
• Unnamed Item

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