Geometrically reconstructing laser Coulomb-exploded molecules

Geometrical reconstructions are performed for Carbonyl Sulfide (OCS) through Coulomb Explosion Imaging (CEI) employing intense femtosecond laser ionization with pulse durations 7 fs, 30 fs, 60 fs, 100 fs, and 200 fs, using two methods that significantly differ in approach. Firstly, a look up table is employed to reconstruct OCS (2, 2, 2) channel and highlight the presence of degenerate regions. Following this a more sophisticated constrained nonlinear optimization approach improves on precision and gives an indication of uncertainty. Results are compared with equilibrium geometry.