Accurate theoretical data on many time-dependent processes in atomic and
molecular physics and in chemistry require the direct numerical solution of the
time-dependent Schr\"odinger equation, thereby motivating the development of
very efficient time propagators. These usually involve the solution of very
large systems of first order differential equations that are characterized by a
high degree of stiffness. We analyze and compare the performance of the
explicit one-step algorithms of Fatunla and Arnoldi. Both algorithms have
exactly the same stability function, therefore sharing the same stability
properties that turn out to be optimum. Their respective accuracy however
differs significantly and depends on the physical situation involved. In order
to test this accuracy, we use a predictor-corrector scheme in which the
predictor is either Fatunla's or Arnoldi's algorithm and the corrector, a fully
implicit four-stage Radau IIA method of order 7. We consider two physical
processes. The first one is the ionization of an atomic system by a short and
intense electromagnetic pulse; the atomic systems include a one-dimensional
Gaussian model potential as well as atomic hydrogen and helium, both in full
dimensionality. The second process is the decoherence of two-electron quantum
states when a time independent perturbation is applied to a planar two-electron
quantum dot where both electrons are confined in an anharmonic potential. Even
though the Hamiltonian of this system is time independent the corresponding
differential equation shows a striking stiffness. For the one-dimensional
Gaussian potential we discuss in detail the possibility of monitoring the time
step for both explicit algorithms. In the other physical situations that are
much more demanding in term of computations, we show that the accuracy of both
algorithms depends strongly on the degree of stiffness of the problem.Comment: 24 pages, 14 Figure
