2004/02/20 by Liang-You Peng, J F McCann, Daniel Dundas +3
Engineering · Mathematics · Physics and Astronomy · #Atomic and Molecular Physics #Ion-surface interactions and analysis #Laser-Matter Interactions and Applications #math-ph #math.MP #physics.atom-ph #physics.chem-ph #physics.comp-ph
paper · pdf · doi:10.1063/1.1735662
published as J. Chem. Phys 120 (2004) 10046 · 10 pages, 9 figure, 4 tables
arxiv created 2004/02/20 · openalex publication_date 2004/05/10 · arxiv updated 2009/12/01 · openalex created_date 2020/11/23 · openalex updated_date 2026/07/28
The full-dimensional time-dependent Schrödinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange mesh methods. The method is applied to calculate the quasienergies and ionization probabilities of atomic and molecular systems in intense static and dynamic electric fields. The gauge invariance and accuracy of the method is established. Applications to multiphoton ionization of positronium, the hydrogen atom and the hydrogen molecular ion are presented. At very high laser intensity, above the saturation threshold, we extend the method using a scaling technique to estimate the quasienergies of metastable states of the hydrogen molecular ion. The results are in good agreement with recent experiments.