Sixth-order schemes for laser--matter interaction in Schrödinger equation

Abstract: Control of quantum systems via lasers has numerous applications that require fast and accurate numerical solution of the Schr\"odinger equation. In this paper we present three strategies for extending any sixth-order scheme for Schr\"odinger equation with time-independent potential to a sixth-order method for Schr\"odinger equation with laser potential. As demonstrated via numerical examples, these schemes prove effective in the atomic regime as well as the semiclassical regime, and are a particularly appealing alternative to time-ordered exponential splittings when the laser potential is highly oscillatory or known only at specific points in time (on an equispaced grid, for instance). These schemes are derived by exploiting the linear in space form of the time dependent potential under the dipole approximation (whereby commutators in the Magnus expansion reduce to a simpler form), separating the time step of numerical propagation from the issue of adequate time-resolution of the laser field by keeping integrals intact in the Magnus expansion, and eliminating terms with unfavourable structure via carefully designed splittings.