Pariser-Parr-Pople Model based Investigation of Ground and Low-Lying Excited States of Long Acenes

Himanshu Chakraborty, Alok Shukla

Several years back Angliker et al [Chem. Phys. Lett. 1982, 87, 208] predicted nonacene to be the first linear acene with the triplet state $1^3{B}_{2u}$ as the ground state, instea…