Above-threshold ionization in multicenter molecules: The role of the initial state
[2];
- Barcelona Institute of Science and Technology (BIST) (Spain)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Max Planck Inst. for the Physics of Complex Systems, Dresden (Germany)
- Max Planck Inst. for the Physics of Complex Systems, Dresden (Germany); Max Planck Postech, Pohank (South Korea)
- Barcelona Institute of Science and Technology (BIST) (Spain); Univ. of Salamanca (Spain)
- Barcelona Institute of Science and Technology (BIST) (Spain); ICREA, Barcelona (Spain)
- ASCR, Prague (Czech Republic)
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 ab initio approaches. Even for the simplest diatomic systems, such as , today's computational $$H_2$$ 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 paper we extend the work presented in Suárez et al. [N. Suárez, A. Chacón, J. A. Pérez-Hernández, J. Biegert, M. Lewenstein, and M. F. Ciappina, High-order-harmonic generation in atomic and molecular systems, Phys. Rev. A 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, on the one hand, to 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 three centers—targets appears to be straightforward.
- Research Organization:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE Laboratory Directed Research and Development (LDRD) Program; European Regional Development Fund; Ministry of Economic Affairs and Digital Transformation of Spain (MINECO); European Union (EU); European Commission (EC); Polish National Science Centre (NCN)
- Grant/Contract Number:
- 89233218CNA000001; CZ.02.1.01/0.0/0.0/15_008/0000162; FIS2016-79508-P; SEV-2015-0522; 641272; 654148; 159224-1-2009-1-FR-ERAMUNDUS-EMJD; 2016/20/W/ST4/00314; FIS2014-51478-ERC
- OSTI ID:
- 1699451
- Report Number(s):
- LA-UR-17-29310; TRN: US2204529
- Journal Information:
- Physical Review A, Vol. 97, Issue 3; ISSN 2469-9926
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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