Time scaling with efficient time-propagation techniques for atoms and molecules in pulsed radiation fields

ALIOU HAMIDO, JOHANNES EIGLSPERGER, JAVIER MADRONERO, FRANCISCA MOTA-FURTADO, PATRICK O’MAHONY, ANA LAURA FRAPICCINI, AND BERNARD PIRAUX

PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS

AMER PHYSICAL SOC

Lugar: New York; Año: 2011 p. 13422 - 13436

1050-2947

We present an ab initio approach to solving the time-dependent Schrodinger equation to treat electron- and ¨ photon-impact multiple ionization of atoms or molecules. It combines the already known time-scaled coordinate method with a high-order time propagator based on a predictor-corrector scheme. In order to exploit in an optimal way the main advantage of the time-scaled coordinate method, namely, that the scaled wave packet stays confined and evolves smoothly toward a stationary state, of which the squared modulus is directly proportional to the electron energy spectra in each ionization channel, we show that the scaled bound states should be subtracted from the total scaled wave packet. In addition, our detailed investigations suggest that multiresolution techniques like, for instance, wavelets are the most appropriate ones to represent the scaled wave packet spatially. The approach is illustrated in the case of the interaction of a one-dimensional model atom as well as atomic hydrogen with a strong oscillating field.