ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Two possible effects - Peierls instability (bond alternation) and Mott-type correlation spin ordering - leading to metal-insulator transition (energy gap formation) in one-dimensional chains, have been considered using UHF treatment of the Hubbard-type Hamiltonian. It has been found that in the framework of approximations applied these two instabilities are mutually exclusive.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560220412