Second-order dispersion interactions in π-conjugated polymers.
We calculate the ground state and excited state second-order dispersion interactions between parallel π-conjugated polymers. The unperturbed eigenstates and energies are calculated from the Pariser-Parr-Pople model using CI-singles theory. Based on large-scale calculations using the molecular struct...
| Huvudupphovsmän: | , , |
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| Materialtyp: | Journal article |
| Språk: | English |
| Publicerad: |
2011
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