通过双Σ型激光方案控制振动态布居转移

通过使用含时量子波包方法,对HF分子该类型的布居转移动力学进行了研究. 提出双Σ型激光控制方案,用于控制布居从|v=16>能级向|v=0>能级进行转移. 该方案的第一步是将布居从|v=16>经过中间能级|v=11>向|v=7>转移,第二步是将布居从|v=7>经过中间能级|v=3>向|v=0>转移. 在每一个步骤中,三个振动能级在两束重叠的激光脉冲作用下形成一个Σ型的布居转移路径. 通过优化激光的强度、频率和延迟时间,得到了最大的布居转移效率. 计算并比较了正序脉冲和反序脉冲两种情况,在这两种情况下,布居都可以超过90%从|v=16>能级向|v=0>能级进行转移.     

HeH+体系光缔合反应的动力学研究

采用含时量子波包方法研究基电子态HeH⁺体系优化的光缔合几率，即He+H⁺→HeH⁺随碰撞粒子对初始动量的变化，并研究伴随该过程的多光子跃迁和解离.选取v=6振动能级为目标态，通过优化激光场参数得到碰撞粒子对的最优光缔合几率.结果表明：随着碰撞粒子对初始动量的增加，光缔合所用的最优激光场的持续时间逐渐减少，但光场的强度和失谐逐渐增加.在某些初始碰撞动量附近，由于共振多光子跃迁过程的存在，最优的光场不能严格地将碰撞粒子对缔合到目标态.此外，研究表明随着初始动量的增加，系统的超阈值解离几率近似线性地增加到一个最大值，直至饱和强度.并且，在碰撞粒子对的初始动量较大时，超阈值解离主导解离过程.     

The influence of collision energy on magnetically tuned 6Li-6Li Feshbach resonance

The effect of collision energy on the magnetically tuned $^{6}$Li-$^{6}$Li Feshbach resonance (FR) is investigated theoretically by using the coupled-channel (CC) method for the collision energy ranging from 1 μ$ {\rm K} \cdot {k}_{\rm B}$ to 100 μ$ {\rm K} \cdot {k}_{\rm B}$. At the collision energy of 1 μ$ {\rm K} \cdot {k}_{\rm B}$, the resonance positions calculated are 543.152 Gs (s wave, the unit $1 {\rm Gs}=10^{-4} {\rm T}$), 185.109 Gs (p wave $|m_{l}| = 0$), and 185.113 Gs (p wave $|m_{l}| = 1$), respectively. The p-wave FR near 185 Gs exibits a doublet structure of 4 mGs, associated with dipole-dipole interaction. With the increase of the collision energy, it is found that the splitting width remains the same (4 mGs), and that the resonance positions of s and p waves are shifted to higher magnetic fields with the increase of collision energy. The variations of the other quantities including the resonance width and the amplitude of the total scattering section are also discussed in detail. The thermally averaged elastic rate coefficients at $T=10$, 15, 20, 25 K are calculated and compared.     

Interference of dissociating wave packets in the I2 molecule driven by femtosecond laser pulses

The interference between two dissociating wave packets of the I2 molecule driven by femtosecond laser pulses is theoretically studied by using the time-dependent quantum wave packet method.Both the internuclear distanceand velocity-dependent density functions are calculated and discussed.It is demonstrated that the interference pattern is determined by the phase difference and the delay time between two pump pulses.With two identical pulses with a delay time of 305 fs and a FWHM of 20 fs,more interference fringes can be observed,while with two pump pulses with a delay time of 80 fs and a FWHM of 20 fs,only a few interference fringes can be observed.     

Autler-Townes Splitting in Photoelectron Spectrum of Three-Level Li2 Molecule in Ultrashort Pulse Laser Fields

The Autler-Townes （AT） splitting in femtosecond photoelectron spectrum of three-level Li2 molecules is theoretically investigated using time-dependent quantum wave packet method. With proper femtosecond laser pulses, three peaks of the AT splitting can be observed in the photoelectron spectrum. The AT splitting stems from rapid Rabi oscillation caused by intense ultrashort laser pluses. The effects of laser parameters on the molecular ionization dynamics are also discussed.     

Above-Threshold Dissociation of HD+ in Femtosecond Laser Field

The above-threshold dissociation （ATD） of the HD＋ molecular ion in femtosecond laser field is investigated theoretically. The energy-dependent distribution of the dissociated fragments is calculated using an asymptoticflow expression in the momentum space. The calculations show that the ATD of HD＋ is sensitive to the initial vibrational level of ground electronic state. Multiphoton ATDs can be observed in the dissociation processes. The dynamics phenomena are interpreted by using the concept of light-dressed potential.     

HF和DF分子双光子布居转移过程中的同位素效应

通过求解含时薛定谔方程,研究了XF(X=H,D)分子体系双光子共振条件下布居转移过程中的同位素效应.对于这两个分子体系,基电子态上的振动能级v=0和v=2被考虑成初始态和目标态.详细讨论了激光场峰值强度和脉冲持续时间对布居转移过程的影响.脉冲持续时间需要长于860 fs才能保证DF分子体系可以获得较为显著的布居转移几率(大于80%),而对于HF分子体系,该参数只需长于460 fs.与HF分子体系相比,中间态v=1和较高的v=3振动态会对DF分子体系的双光子共振布居转移过程产生更重要的影响.     

基于基本不变量神经网络势能面的H+C2D2反应漫游机理研究

基于最近发展的基本不变量神经网络方法构建的精确全维势能面,本文对H+C₂D₂→HD+C₂D/D₂+C₂H反应开展了广泛的准经典轨线计算. 发现了直接抽取反应途径对整体反应性的影响很小,与漫游路径相比可以忽略不计. 乙炔促进的漫游路径在总体反应性中占主导地位,而亚乙烯基促进的漫游路径贡献很小. 结果表明,虽然漫游路径可以通过短寿命或长寿命的复合物形成过程进行,但是产物HD与D₂的分支比与2：1很接近,这意味着漫游动力学主要是由长寿命的复合物形成过程促成的. 并且,这两个产物通道的角分布也完全不同. 这些计算结果为深入了解同位素效应在双分子反应漫游动力学中的重要性提供了有价值的见解.