Quantum dynamics of NO photoexcitation in solid neon within the multi-configurational time dependent Hartree (MCTDH) approach

Llinersy Uranga Piña

Université Paul Sabatier, Laboratoire Collisions, Agrégats, Réactivité, Toulouse, France

The computational cost associated to the description of molecular quantum dynamics becomes prohibitive as the number of degrees of freedom increases. An alternative approach, based on the utilization of time-dependent basis functions, is presented. It provides a more flexible and efficient description of the time evolution of the fully correlated molecular wave function for systems of high dimensionality. As a representative of dynamical processes in condensed phase, the relaxation process following the photoexcitation of NO in solid Ne is analyzed within a radial approximation.

Back