Abstract
Large-scale multi-reference configuration interaction calculations are employed in order to calculate the vertical electronic spectrum of C 4 in its linear and rhombic geometrical conformations up to 6.5 eV. The recently measured transitions of linear C 4 at 0.93 eV ( 3 Π u ← X 3Σ − g ) and at 3.26 eV ( 3Σ − u ← X 3Σ − g ) are confirmed. The first allowed transition of rhombic C 4 is calculated at 2.15 eV ( 1 B 1 u ← X 1 A g ) and this transition should help to identify rhombic C 4 since there are no transitions of linear C 4 in this energy region.
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