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Abstract
The Hamiltonian we used includes the static SSH model, the Hubbard model and Na+ phenomenological potential in trans-polyacetylene. When the distance of the soliton pair in Na-doped trans-polyacetylene is 15α, the effect of e-e interaction within an unrestricted Har-tree-Fock scheme on the band structure of trans-polyacetylene, the charge density of the chain and the half-length of the soliton are studied.
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CUI YUN-LONG,

LIN SEN-HAO,

ZHANG JIA-HUA

1.
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Vol. 41, Issue 3 - 1992-02-05

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