title: Development of a general time-dependent absorbing potential for the constrained adiabatic trajectory method.
abstract: The constrained adiabatic trajectory method (CATM) allows us to compute solutions of the time-dependent Schrödinger equation using the Floquet formalism and Fourier decomposition, using matrix manipulation within a non-orthogonal basis set, provided that suitable constraints can be applied to the initial conditions for the Floquet eigenstate. A general form is derived for the inherent absorbing potential, which can reproduce any dispersed boundary conditions. This new artificial potential acting over an additional time interval transforms any wavefunction into a desired state, with an error involving exponentially decreasing factors. Thus, a CATM propagation can be separated into several steps to limit the size of the required Fourier basis. This approach is illustrated by some calculations for the H(2)(+) molecular ion illuminated by a laser pulse.
authors: Institut UTINAM (CNRS UMR 6213, Université de Franche-Comté, Observatoire de Besançon), 41bis Avenue de l'Observatoire, BP1615, 25010 Besançon cedex, France. Arnaud.Leclerc@utinam.cnrs.fr
authors: Arnaud
authors: A
authors: Leclerc
authors: Georges
authors: G
authors: Jolicard
authors: John P
authors: JP
authors: Killingbeck