Theoretical study of the lowest B-1(U) states of trans-stilbene
The results of a theoretical study of the ground state, 1(1)A(g), and of the lowest B-1(u) states of trans-stilbene are presented. The vertical and adiabatic excitation energies of the lowest B-1(u) states have been computed using multiconfigurational SCF theory, followed by second-order perturbation. theory. It is shown that the two lowest excited states are separated by a small energy gap in the