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. 2024 Oct 12;20(20):9084–9092. doi: 10.1021/acs.jctc.4c00929

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© 2024 The Authors. Published by American Chemical Society

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TDCS for double ionization of H₂ at = 61.4 eV for in-plane geometries. Molecule is oriented parallel to the light polarization vector (double ended blue arrow). Fixed electron (single ended red arrows) with 20% and 80% of the available energy and various directions with respect to the light polarization vector. Dark cyan points: FEM-DVR basis set (obtained using the velocity gauge). Magenta points: orbital basis set. Units are barn/eV/sr².

Inline graphic — TDCS for double ionization of H₂ at = 61.4 eV for in-plane geometries. Molecule is oriented parallel to the light polarization vector (double ended blue arrow). Fixed electron (single ended red arrows) with 20% and 80% of the available energy and various directions with respect to the light polarization vector. Dark cyan points: FEM-DVR basis set (obtained using the velocity gauge). Magenta points: orbital basis set. Units are barn/eV/sr².