Correlation effects in strong-field ionization of heteronuclear diatomic molecules
| Autor: | Henrik Larsson, Lasse Kragh Sørensen, Michael Bonitz, S. Bauch |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Physics
Chemical Physics (physics.chem-ph) Quantum Physics FOS: Physical sciences 81-08 Photoionization Electron Configuration interaction Computational Physics (physics.comp-ph) 01 natural sciences Diatomic molecule 010305 fluids & plasmas Atomic orbital Heteronuclear molecule Ionization Physics - Chemical Physics 0103 physical sciences Atomic physics 010306 general physics Quantum Physics (quant-ph) Physics - Computational Physics Basis set |
| DOI: | 10.48550/arxiv.1507.04107 |
| Popis: | We develop a time-dependent theory to investigate electron dynamics and photoionization processes of diatomic molecules interacting with strong laser fields including electron-electron correlation effects. We combine the recently formulated time-dependent generalized-active-space configuration interaction theory [D. Hochstuhl and M. Bonitz, Phys. Rev. A 86, 053424 (2012); S. Bauch, et al., Phys. Rev. A 90, 062508 (2014)] with a prolate spheroidal basis set including localized orbitals and continuum states to describe the bound electrons and the outgoing photoelectron. As an example, we study the strong-field ionization of the two-center four-electron lithium hydride molecule in different intensity regimes. By using single-cycle pulses, two orientations of the asymmetric heteronuclear molecule are investigated: Li-H, with the electrical field pointing from H to Li, and the opposite case of H-Li. The preferred orientation for ionization is determined and we find a transition from H-Li, for low intensity, to Li-H, for high intensity. The influence of electron correlations is studied at different levels of approximation, and we find a significant change in the preferred orientation. For certain intensity regimes, even an interchange of the preferred configuration is observed, relative to the uncorrelated simulations. Further insight is provided by detailed comparisons of photoelectron angular distributions with and without correlation effects taken into account. |
| Databáze: | OpenAIRE |
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