Premium
Electronic‐phase transition associated with instability of the Hartree–Fock solution of infinite one‐dimensional system
Author(s) -
Tanaka Kazuyoshi,
Kobayashi Hiromi,
Okada Mayumi,
Kobashi Masahiro,
Yamabe Tokio
Publication year - 1992
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560420106
Subject(s) - instability , eigenvalues and eigenvectors , hartree–fock method , atomic orbital , phase transition , electronic structure , condensed matter physics , polyacetylene , singlet state , crystal (programming language) , physics , quantum mechanics , electron , excited state , doping , computer science , programming language
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.