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Multiple-orbital effects in laser-induced electron diffraction of aligned molecules

MPG-Autoren
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de Giovannini,  U.
Nano-Bio Spectroscopy Group and ETSF, Departamento Fisica de Materiales, Universidad del País Vasco, CSIC-UPV/EHU-MPC;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Rubio,  A.
Nano-Bio Spectroscopy Group and ETSF, Departamento Fisica de Materiales, Universidad del País Vasco, CSIC-UPV/EHU-MPC;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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PhysRevA.98.041401.pdf
(Verlagsversion), 2MB

1905.03596.pdf
(Preprint), 5MB

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Zitation

Krečinić, F., Wopperer, P., Frusteri, B., Brauße, F., Brisset, J., de Giovannini, U., et al. (2018). Multiple-orbital effects in laser-induced electron diffraction of aligned molecules. Physical Review A, 98: 041401(R). doi:10.1103/PhysRevA.98.041401.


Zitierlink: https://hdl.handle.net/21.11116/0000-0002-5461-2
Zusammenfassung
Photoelectron angular distributions (PADs) resulting from 800 and 1300 nm strong-field ionization of impulsively aligned CF3I molecules were analyzed using time-dependent density functional theory (TDDFT). The normalized difference between the PADs for aligned and antialigned molecules displays large modulations in the high-energy recollision plateau that are assigned to the diffraction of backscattered photoelectrons. The TDDFT calculations reveal that, in spite of their 2.6 eV energy difference, ionization from the HOMO-1 orbital contributes to the diffraction pattern on the same footing as ionization from the doubly degenerate HOMO orbital.