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利用含时量子波包法理论研究了Na 分子与超快飞秒激光脉冲场作用后的解离动力学。受到非绝热效应的影响,NaI分子的激发态波包传播到势能面的交叉区域时发生了分裂。一部分波包转移到V1态势能面上,另一部分波包则在V2态上解离成Na原子和I原子。研究结果表明,NaI分子的解离几率与激发态波包的传播速率有关。通过调节飞秒激光脉冲场的波长和脉冲宽度,可以改变激发态波包的传播速率,最终达到控制NaI分子解离动力学的目的。
The dissociation kinetics of Na molecule and ultrafast femtosecond laser pulse field are studied by using time-dependent quantum wave packet theory. Affected by the non-adiabatic effect, the excited wave packet of NaI molecule splits when it propagates to the intersection of potential energy planes. Part of the wave packet is transferred to the V1 potential energy surface while the other wave packet is dissociated into Na atom and I atom in the V2 state. The results show that the dissociation probability of NaI molecules is related to the propagation velocity of excited-state wave packets. By adjusting the wavelength and pulse width of the femtosecond laser pulse field, the propagation velocity of the excited state wave packet can be changed, and finally the purpose of controlling the dissociation kinetics of the NaI molecule can be achieved.