Mapping molecular potentials using pump-probe spectroscopy of vibrational wave packets' revival
Blinov, SN (Blinov, Svyatoslav N.); Kimberg, VV (Kimberg, Victor V.); Krasnov, PO (Krasnov, Pavel O.); Gelmukhanov, FK (Gelmukhanov, Faris Kh.); Polyutov, SP (Polyutov, Sergey P.)
Physical Review A, 2023, Volume 108, 013104.
In this study, we investigate the nuclear dynamics in nitrogen monoxide after valence ionization by a pump pulse and subsequent probing with a time-delayed x-ray pulse. We calculate the development of the resulting vibrational wave packet, taking into account three different ionization mechanisms: one-photon, multiphoton, and tunneling ionization. Using a two-time propagation method, we solve the nonstationary nuclear Schrodinger equation to obtain time-resolved x-ray absorption spectra (TRXAS), considering the finite duration of the probe pulse. Our simulations show that the TRXAS profile accurately reflects the vibrational wave packets' trajectory in the cationic ground state. Additionally, we find that the TRXAS evolution is highly sensitive to small changes in the probed potential energy curve, making it a useful tool for reconstructing molecular potentials and determining anharmonicity and equilibrium bond length. This method can be applied to other polyatomic molecules and pump mechanisms. |
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