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Perturbational approach to aperiodicity of polymer systems
Author(s) -
Imamura Akira,
Aoki Yuriko
Publication year - 1987
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.560320717
Subject(s) - polyacetylene , perturbation (astronomy) , polymer , statistical physics , chemical physics , computational chemistry , chemistry , physics , quantum mechanics , organic chemistry
An iterative transfer perturbation method is applied to polyacetylene under some kinds of local perturbations at the level of the extended Hückel method. This method rapidly provides the electronic states of nonperiodical polymers with good accuracy.