Excitons in conjugated polymers: wavefunctions, symmetries, and quantum numbers.
We introduce a mapping from configuration interaction singles wavefunctions, expressed as linear combinations of particle-hole excitations between Hartree-Fock molecular orbitals, to real-space exciton wavefunctions, expressed as linear combinations of particle-hole excitations between localized Wan...
| Main Authors: | , |
|---|---|
| Formato: | Journal article |
| Idioma: | English |
| Publicado em: |
2008
|