Density matrix renormalization calculations of the relaxed energies and solitonic structures of polydiacetylene
The density matrix renormalization group method is applied to the Pariser-Parr-Pople-Peierls model to calculate the energies and associated structures of the low-lying states of polydiacetylene. The extrinsic dimerization of polydiacetylene, arising from the electrons in py orbitals in the triple bo...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2003
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