Observing and controlling electrocyclic ring-opening reaction of cyclohexadiene at conical intersection

<div> <div> <div> <p>The photoinduced cyclohexadiene/hexatriene ring-opening reaction has been modeled via explicit wave-packet propagation (Quantum dynamics-QD) on a two-dimensional (2D) ab-initio Hamiltonian (H) parametrized with multiconfigurational perturbative wavefunction theory (XMS-CASPT2). Electronic coherences and omptimal control pulses to enhance the ring-opening quantum yield have been modeled.&nbsp;</p> </div> </div> </div>