Table 1 Percentage of hydrogen species (summed over all channels) ejected from doubly-charged ethanol that are observed using CASSCF and QCISD ab initio molecular dynamics simulations

From: H2 roaming chemistry and the formation of H3+ from organic molecules in strong laser fields

  CASSCF % yield QCISD % yield
H+ formation 38.6 30.1
H2+ formation 0.5 0
H2 formation 2.6 57.9
H3+ formation 0 0.2