Density-matrix renormalization-group calculations of excited states of linear polyenes
We present density-matrix renormalization-group calculations of the Pariser-Parr-Pople-Peierls model of linear polyenes within the adiabatic approximation. We calculate the vertical and relaxed transition energies, and relaxed geometries for various excitations on long chains. The triplet (1 3Bu+) a...
| Autores principales: | , , |
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| Formato: | Journal article |
| Lenguaje: | English |
| Publicado: |
2001
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