The low-lying excitations of polydiacetylene
The Pariser-Parr-Pople Hamiltonian is used to calculate and identify the nature of the low-lying vertical transition energies of polydiacetylene. The model is solved using the density matrix renormalisation group method for a fixed acetylenic geometry for chains of up to 102 atoms. The non-linear op...
| Principais autores: | , , |
|---|---|
| Formato: | Journal article |
| Idioma: | English |
| Publicado em: |
2001
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