The Rydberg states of trans-butadiene from generalized valence bond and configuration interaction calculations
Marco A. C. Nascimento, William A. Goddard III
1980Chem. Phys., 53(3), 251-26339cited
Abstract
Self-consistent ab initio generalized valence bond (GVB) and configuration interaction (CI) calculations are presented for the Rydberg states of trans-1,3-butadiene. Five Rydberg series were identified, three optically allowed (np_z,, np_x and (nf_x)³) and two optically forbidden (ns and (nd_z)²). It is shown that, except for the à and F bands (which correspond to the non-valence 1 ¹Bu and the valence 2 ¹A, states, respectively) all the transitions observed in the ultra-violet (UV) and electron-impact (EI) spectra, and in the two-photon spectra, can be assigned to members of these Rydberg series.
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Cite this publication
Nascimento, M. A. C. & III, W. A. G. (1980). The Rydberg states of trans-butadiene from generalized valence bond and configuration interaction calculations. *Chem. Phys.*, *53*(3), 251-263. https://doi.org/10.1016/0301-0104(80)85116-0