Ultrafast multielectron dynamics: A time-dependent R-matrix approach

Ultrafast laser-driven excitation dynamics in ne: an ab initio time-dependent R-matrix approach.

An attosecond pump-probe scheme that combines the use of a free-electron laser pulse with an ultrashort pulse is applied in order to explore the ultrafast excitation dynamics in Ne. We describe the multielectron dynamics using a new nonperturbative time-dependent R-matrix theory. This theory enables the interaction of ultrashort light fields with multielectron atoms and atomic ions to be determ...

Time-dependent R -matrix theory for ultrafast atomic processes

Multielectron system in an ultrashort, intense laser field: A nonperturbative, time-dependent two-active-electron approach

Time-Dependent B-Spline R-Matrix Approach to Double Ionization of Atoms by XUV Laser Pulses

We present an ab initio and non-perturbative time-dependent approach to the problem of double ionization of a general atom driven by intense XUV laser pulses. After using a highly flexible B-Spline R-matrix method to generate field-free Hamiltonian and electric dipole matrices, the initial state is propagated in time using an efficient ArnoldiLanczos scheme. Test calculations for double ionizat...

Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach

A mixed quantum-classical method aimed at the study of nonadiabatic dynamics in the presence of external electromagnetic fields is developed within the framework of time-dependent density functional theory. To this end, we use a trajectory-based description of the quantum nature of the nuclear degrees of freedom according to Tully’s fewest switches trajectories surface hopping, where both the n...