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. LiCl 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 LiCl. LiCl 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 LiCl was dissociated. The dissociation probability of LiCl was less than 2%t.