Symmetry-adapted density matrix renormalization group calculations of the primary excited states of poly(para-phenylene vinylene).
The Pariser-Parr-Pople model of pi-conjugated electrons is solved by a three-block, symmetry-adapted density matrix renormalization group (DMRG) method for the light emitting polymer, poly(para-phenylene vinylene). The energies of the primary excited states are calculated. There is excellent agreeme...
| Hlavní autoři: | , |
|---|---|
| Médium: | Journal article |
| Jazyk: | English |
| Vydáno: |
2009
|