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...
| Κύριοι συγγραφείς: | , , |
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| Μορφή: | Conference item |
| Έκδοση: |
2001
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