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We examine the performance of various time propagation schemes using a one-dimensional model of the hydrogen atom. In this model the exact Coulomb potential is replaced by a soft-core interaction. The model has been shown to be a reasonable representation of what occurs in the fully three-dimensional hydrogen atom. Our results show that while many numerically simple (low order) propagation schemes work, they often require quite small time-steps. Comparing them against more accurate methods, which may require more work per time-step but allow much larger time-steps, can be illuminating. We show that at least in this problem, the compute time for a number of the more accurate methods is actually less than lower order schemes. Finally, we make some remarks on what to expect in generalizing our findings to more than one dimension.
We develop an approach to solving numerically the time-dependent Schrodinger equation when it includes source terms and time-dependent potentials. The approach is based on the generalized Crank-Nicolson method supplemented with an Euler-MacLaurin exp
The validation and parallel implementation of a numerical method for the solution of the time-dependent Dirac equation is presented. This numerical method is based on a split operator scheme where the space-time dependence is computed in coordinate s
The steady-state simplified Pn (SPn) approximations to the linear Boltzmann equation have been proven to be asymptotically higher-order corrections to the diffusion equation in certain physical systems. In this paper, we present an asymptotic analysi
In this Colloquium, the wavefunction-based Multiconfigurational Time-Dependent Hartree approaches to the dynamics of indistinguishable particles (MCTDH-F for Fermions and MCTDH-B for Bosons) are reviewed. MCTDH-B and MCTDH-F or, together, MCTDH-X are
Couplings of a system to other degrees of freedom (that is, environmental degrees of freedom) lead to energy dissipation when the number of environmental degrees of freedom is large enough. Here we discuss quantal treatments for such energy dissipati