The Rydberg states of trans-1, 3-5-hexatriene from ab initio and configuration interaction calculations
Marco A. C. Nascimento, William A. Goddard III
1980Chem. Phys., 53(3), 265-27711cited
Abstract
Self-consistent ab initio and configuration interaction (CI) calculations are presented for the Rydberg states of the trans-1,3,5-hexatriene molecule. Seven Rydberg series were identified. four optically allowed (ns, (nd_z)², nd_(xy)) and three optically forbidden (np_x, np_y, np_z). These present results plus previous calculations on the valence states are used to assign the transitions observed in the ultraviolet WV), electron-impact (EI) and two-photon spectra of this molecule.
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Nascimento, M. A. C. & III, W. A. G. (1980). The Rydberg states of trans-1, 3-5-hexatriene from ab initio and configuration interaction calculations. *Chem. Phys.*, *53*(3), 265-277. https://doi.org/10.1016/0301-0104(80)85117-2