Electronic-phase transition associated with instability of the Hartree-Fock solution of infinite one-dimensional system
| Autor: | Tokio Yamabe, Mayumi Okada, Hiromi Kobayashi, Kazuyoshi Tanaka, Masahiro Kobashi |
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| Rok vydání: | 1992 |
| Předmět: |
Phase transition
Condensed matter physics Chemistry Fermi level Hartree–Fock method Electronic structure Condensed Matter Physics Instability Atomic and Molecular Physics and Optics Molecular electronic transition symbols.namesake symbols Physics::Atomic Physics Singlet state Physical and Theoretical Chemistry Eigenvalues and eigenvectors |
| Zdroj: | International Journal of Quantum Chemistry. 42:45-54 |
| ISSN: | 1097-461X 0020-7608 |
| DOI: | 10.1002/qua.560420106 |
| Popis: | Electronic-phase transition associated with the singlet instability problem of the Hartree-Fock solution of the extended system is studied employing the metallic trans-polyacetylene. Concerning the eigenstates of the stability matrix set up for the crystal orbitals at the Fermi level, classification of the electronic phases is attempted and the origin of their emergence in relation to the interelectronic interaction is discussed. |
| Databáze: | OpenAIRE |
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