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...

Полное описание

Библиографические подробности
Главные авторы: Bursill, R, Barford, W
Формат: Journal article
Язык:English
Опубликовано: 2009