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Journal Article

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

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Krecinic,  Faruk
Physical Chemistry, Fritz Haber Institute, Max Planck Society;
Max Born Institute, Max-Born-Str. 2A, 12489 Berlin, Germany;

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PhysRevA.98.041401.pdf
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Citation

Krecinic, F., Wopperer, P., Frusteri, B., Brauße, F., Brisset, J.-G., De Giovannini, U., et al. (2018). Multiple-orbital effects in laser-induced electron diffraction of aligned molecules. Physical Review A, 98(4): 041401(R). doi:10.1103/PhysRevA.98.041401.


Cite as: https://hdl.handle.net/21.11116/0000-0002-7F17-7
Abstract
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.