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http://hdl.handle.net/2445/9734
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | García Bach, Ma. de los Ángeles | cat |
dc.contributor.author | Blaise, P. | cat |
dc.contributor.author | Malrieu, J. P. | cat |
dc.date.accessioned | 2009-10-20T11:08:15Z | - |
dc.date.available | 2009-10-20T11:08:15Z | - |
dc.date.issued | 1992 | cat |
dc.identifier.issn | 0163-1829 | cat |
dc.identifier.uri | http://hdl.handle.net/2445/9734 | - |
dc.description.abstract | Extracting a bond-length-dependent Heisenberg-like Hamiltonian from the potential-energy surfaces of the two lowest states of ethylene, it is possible to study the geometry of polyacetylene by minimization of the cohesive energy, using both variational-cluster and Rayleigh-Schrödinger perturbative expansions. The dimerization amplitude is satisfactorily reproduced. Optimizing the variational-cluster-expansion total energy with the equal-bond-length constraint, the barrier to reversal of alternation is obtained. The alternating-to-regular phase transition is treated from the Néel-state starting function and appears to be of second order. | eng |
dc.format.extent | 7 p. | cat |
dc.format.mimetype | application/pdf | eng |
dc.language.iso | eng | eng |
dc.publisher | The American Physical Society | eng |
dc.relation.isformatof | Reproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.46.15645 | cat |
dc.relation.ispartof | Physical Review B, 1992, vol. 46, núm. 24, p. 15645-15651. | eng |
dc.relation.uri | http://dx.doi.org/10.1103/PhysRevB.46.15645 | - |
dc.rights | (c) The American Physical Society, 1992 | eng |
dc.source | Articles publicats en revistes (Física de la Matèria Condensada) | - |
dc.subject.classification | Polímers | cat |
dc.subject.classification | Elastòmers | cat |
dc.subject.classification | Química física | - |
dc.subject.other | Polymers | eng |
dc.subject.other | Elastomers | eng |
dc.subject.other | Physical chemistry | eng |
dc.title | Dimerization of polyacetylene treated as a spin-Peierls distortion of the Heisenberg Hamiltonian | eng |
dc.type | info:eu-repo/semantics/article | eng |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 10987 | cat |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) |
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