Ultrafast Science, Volume. 4, Issue 1, 0038(2024)

Reconstructing Molecular Orbitals with Laser-Induced Electron Tunneling Spectroscopy

XuanYang Lai1、†, RenPing Sun1、†, ShaoGang Yu1, YanLan Wang1, Wei Quan1, André Staudte2、*, and XiaoJun Liu1、*
Author Affiliations
  • 1State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China.
  • 2Joint Attosecond Science Laboratory, National Research Council and University of Ottawa, Ottawa, Ontario K1A 0R6, Canada.
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    Photoelectron spectroscopy in intense laser fields has proven to be a powerful tool for providing detailed insights into molecular structure. The ionizing molecular orbital, however, has not been reconstructed from the photoelectron spectra, because its phase information is difficult to access. Here, we propose a method to retrieve the phase information of the ionizing molecular orbital. By analyzing the interference pattern in the photoelectron spectrum, the weighted coefficients and the relative phases of the constituent atomic orbitals for a molecular orbital can be extracted. With this information, we reconstruct the highest occupied molecular orbital of N2. Our work provides a reliable and straightforward approach for reconstructing molecular orbitals with the photoelectron spectroscopy.

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    XuanYang Lai, RenPing Sun, ShaoGang Yu, YanLan Wang, Wei Quan, André Staudte, XiaoJun Liu. Reconstructing Molecular Orbitals with Laser-Induced Electron Tunneling Spectroscopy[J]. Ultrafast Science, 2024, 4(1): 0038

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    Paper Information

    Category: Research Articles

    Received: Jul. 11, 2023

    Accepted: Oct. 4, 2023

    Published Online: May. 21, 2024

    The Author Email: Staudte André (andre.staudte@nrc-cnrc.gc.ca), Liu XiaoJun (xjliu@wipm.ac.cn)

    DOI:10.34133/ultrafastscience.0038

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