Fig. 5: Using super rotors to probe molecular structure far from equilibrium.

MRCISD+Q/aug-cc-pwCV5Z potential energy curves (see Supplementary Information Section 5 for details) for SiO⁺ at N = 0 and at N = 220, the latter altered significantly by centrifugal distortion. The B²Σ⁺ vibrational levels v = 0 and v near the ⁴Σ⁻ state crossing (at around r = 1.9 Å for both N) are shown.