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Theoretical study on isotope-selective dissociation of the lithium chloride molecule using a designed terahertz-wave field

Ichihara, Akira; Matsuoka, Leo; Kurosaki, Yuzuru; Yokoyama, Keiichi

Isotope-selective dissociation of the lithium chloride (LiCl) molecule was investigated by quantum mechanical calculations. $$^7$$Li$$^{35}$$Cl in the initial rovibrational state (v=0,J=0) was excited by an optical frequency comb whose spectral frequencies were tuned to the rotational transition frequencies of $$^7$$Li$$^{35}$$Cl. $$^7$$Li$$^{37}$$Cl was not highly excited by the comb because of the difference of the transition frequencies. The time evolution of rovibrational population was evaluated using the close-coupling method during the comb irradiation. The dissociation process in the second pulse was calculated by the wave packet method. The amplitudes of close-coupling were employed as the input of the wave packet computation. The dissociation probability was estimated by absorbing wave packet using a damping function. By the optical pulses adopted, about 60% of $$^7$$Li$$^{35}$$Cl was dissociated. The dissociation probability of $$^7$$Li$$^{37}$$Cl was less than 2%t.

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