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...

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Príomhchruthaitheoirí: Bursill, R, Barford, W
Formáid: Journal article
Teanga:English
Foilsithe / Cruthaithe: 2009