Approximate symmetry-breaking in the independent particle model of monocyclic completely conjugated polyenes

DOI10.1007/s10910-007-9295-xzbMath1195.92077OpenAlexW2092332437MaRDI QIDQ937687

Gabriela Thiamová, Josef Paldus

Publication date: 15 August 2008

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-007-9295-x

zbMATH Keywords

Hartree-Fock equationscyclic polyenesindependent particle modelPariser-Parr-Pople Hamiltonianplanar conjugated systemssinglet and triplet stability

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

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

Cites Work

• New Developments in Molecular Orbital Theory
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