Abstract
Multireference Moller-Plesset theory is applied to the study of the
valence pi to pi* excited states of radical cations and dications of
butadiene, hexatriene, octatetraene and decapentaene. The present
theory satisfactorily describes the low-lying excited states of
cations within an error of 0.1 eV. Theory confirms the general
tendency observed in carotenoids that the first transition of the
dications of polyenes is at a higher energy than the intense
transition of the radical cations and at a lower energy than the first
allowed transition of the neutral species.