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. |
![]() |