Above-threshold ionization (ATI) in multicenter molecules: the role of the initial state
Abstract
A possible route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal and nanometer spatial resolution is to employ recolliding electrons as `probes'. The recollision process in molecules is, however, very challenging to treat using {\it ab initio} approaches. Even for the simplest diatomic systems, such as H, today's computational capabilities are not enough to give a complete description of the electron and nuclear dynamics initiated by a strong laser field. As a consequence, approximate qualitative descriptions are called to play an important role. In this contribution we extend the work presented in N. Su\'arez {\it et al.}, Phys.~Rev. A {\bf 95}, 033415 (2017), to three-center molecular targets. Additionally, we incorporate a more accurate description of the molecular ground state, employing information extracted from quantum chemistry software packages. This step forward allows us to include, in a detailed way, both the molecular symmetries and nodes present in the high-occupied molecular orbital. We are able to, on the one hand, keep our formulation as analytical as in the case of diatomics, and, on the other hand, to still give a complete description of the underlying physics behind the above-threshold ionization process. The application of our approach to complex multicenter - with more than 3 centers, targets appears to be straightforward.
Keywords
Cite
@article{arxiv.1709.04366,
title = {Above-threshold ionization (ATI) in multicenter molecules: the role of the initial state},
author = {N. Suárez and A. Chacón and E. Pisanty and L. Ortmann and A. S. Landsman and A. Picón and J. Biegert and M. Lewenstein and M. F. Ciappina},
journal= {arXiv preprint arXiv:1709.04366},
year = {2018}
}
Comments
45 pages, 14 Figures. arXiv admin note: text overlap with arXiv:1607.07560