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    Area of Science:

    • Atomic and Molecular Physics
    • Quantum Mechanics
    • Chemical Physics

    Background:

    • X-ray-induced Auger decay creates molecular dications.
    • Understanding dication dynamics is crucial for molecular physics.
    • Previous studies lack detailed theoretical models for probing these dynamics.

    Purpose of the Study:

    • To theoretically investigate the dynamics of molecular dications after X-ray-induced Auger decay.
    • To explore probing these dynamics using a delayed infrared probe pulse.
    • To analyze wave-packet evolution in quasi-bound electronic states.

    Main Methods:

    • Quantum-mechanical model incorporating all relevant electronic states.
    • Wave-packet calculations on ab-initio potential energy curves.
    • Analysis of dication yield modulated by probe pulse delay.

    Main Results:

    • The dication yield, modulated by probe pulse delay, contains dynamical information.
    • Fourier transform of the calculated yield shows good agreement with experimental frequencies.
    • Specific vibrational energy levels in quasi-bound potentials are assigned to observed frequencies.

    Conclusions:

    • The theoretical model accurately describes dication dynamics after Auger decay.
    • Delayed infrared probe pulses are effective for studying wave-packet evolution.
    • The study provides insights into the vibrational structure of quasi-bound states in dications.