Periodic boundary conditions in the coordinate R, used instead for the coordinate time, will allow calculations of fixed-nuclei Floquet states for all coordinate systems. Easy to do. Extensions include implementing the double-time method of Roudnev and Esry which could be useful and powerful.
Periodic boundary conditions in the coordinate R, used instead for the coordinate time, will allow calculations of fixed-nuclei Floquet states for all coordinate systems. Easy to do. Extensions include implementing the double-time method of Roudnev and Esry which could be useful and powerful.