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Electron structure of a high‐spin hydrocarbon polyallyl: Hubbard approximation with a strong electron repulsion
Author(s) -
Cheranovskii V. O.
Publication year - 1993
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.560460405
Subject(s) - hubbard model , hamiltonian (control theory) , electron , condensed matter physics , physics , t j model , hydrocarbon , spin (aerodynamics) , chain (unit) , quantum mechanics , chemistry , superconductivity , mathematics , thermodynamics , mathematical optimization , organic chemistry
The Hubbard model of the polyallyl chain with a strong repulsive potential and one hole in the half‐filled band is reduced to the effective spin Hamiltonian. In the case of infinite repulsion, the exact spectrum of the model with cyclic boundary conditions is obtained.© 1993 John Wiley & Sons, Inc.