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Alignment dependent ultrafast electron-nuclear dynamics in molecular high-order harmonic generation.
Mu-Zi Li1, Guang-Rui Jia1, Xue-Bin Bian1
1State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China.
The Journal of Chemical Physics
|March 3, 2017
Summary
Investigating high-order harmonic generation (HHG) in H2+ using non-Born-Oppenheimer approximations reveals nuclear motion impacts spectra. This ultrafast electron-nuclear dynamics study offers insights into molecular structure.
Area of Science:
- Quantum mechanics
- Molecular physics
- Attosecond science
Background:
- High-order harmonic generation (HHG) is a key process in strong-field physics.
- Understanding molecular dynamics requires going beyond the Born-Oppenheimer approximation.
Purpose of the Study:
- Investigate high-order harmonic generation (HHG) in the H2+ molecular ion.
- Explore the effects of non-Born-Oppenheimer approximations (NBOA) on HHG spectra.
- Analyze the influence of nuclear motion and molecular alignment on HHG.
Main Methods:
- Solved the 3D time-dependent Schrödinger equation for H2+.
- Incorporated non-Born-Oppenheimer approximations (NBOA).
- Calculated HHG spectra for various alignment angles and initial vibrational states.
Main Results:
- Nuclear motion causes spectral modulation in both tunneling and multiphoton ionization regimes.
- Observed universal redshifts across the entire HHG spectrum, unique to molecular HHG.
- Spectral width of HHG increases under NBOA.
- Redshifts decrease with increasing alignment angles and depend on initial vibrational states.
Conclusions:
- Nuclear motion significantly influences HHG spectra in H2+ beyond the Born-Oppenheimer approximation.
- HHG redshifts provide a sensitive probe for ultrafast electron-nuclear dynamics.
- This approach can be used to image molecular structure and dynamics in experiments.
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