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Binding energy of a charged soliton to a dopant ion in trans-polyacetylene

✍ Scribed by Howard, I.A.; Conwell, E.M.

Book ID
122870419
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
381 KB
Volume
10
Category
Article
ISSN
0379-6779

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We have performed split valence ab initio Hartree-Fock calculations of the total binding energy, EB, of charged solitons to donor impurities in doped trans-polyacetylene. The total energy is calculated for a system with the soliton pinned to the impurity and for a system where the soliton is isolate