Time scaling with efficient time-propagation techniques for atoms and molecules in pulsed radiation fields
Creators
- 1. Institute of Condensed Matter and Nanosciences, Universite Catholique de Louvain, Batiment de Hemptinne, 2, chemin du cyclotron, B-1348 Louvain-la Neuve (Belgium)
- 2. Physik Departement, Technische Universitaet Muenchen, D-85747 Garching (Germany)
- 3. Institut fuer Theoretische Physik, Universitaet Regensburg, D-93040 Regensburg (Germany)
- 4. Department of Mathematics, Royal Holloway, University of London, Egham, TW20 0EX Surrey (United Kingdom)
Description
We present an ab initio approach to solving the time-dependent Schroedinger 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.
Additional details
Identifiers
- DOI
- 10.1103/PhysRevA.84.013422;
- arXiv
- arXiv:1106.4476v1;
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 84
- Journal Issue
- 1
- Journal Page Range
- p. 013422-013422.14
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 44011330
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S97: MATHEMATICAL METHODS AND COMPUTING;
- Descriptors DEI
- ATOMS; BOUND STATE; ENERGY SPECTRA; HYDROGEN; IONIZATION; MOLECULES; ONE-DIMENSIONAL CALCULATIONS; PHOTONS; PROPAGATOR; SCHROEDINGER EQUATION; TIME DEPENDENCE; WAVE PACKETS
- Descriptors DEC
- BOSONS; DIFFERENTIAL EQUATIONS; ELEMENTARY PARTICLES; ELEMENTS; EQUATIONS; MASSLESS PARTICLES; NONMETALS; PARTIAL DIFFERENTIAL EQUATIONS; SPECTRA; WAVE EQUATIONS
Optional Information
- Notes
- (c) 2011 American Institute of Physics