同位素效应对H+NH→N+H2反应的立体动力学性质的影响

基于翟红生和韩克利给出的势能面[Zhai H S, Han K L 2011 J. Chem. Phys. 135 104314], 运用准经典轨线方法对H+NH及其同位素取代反应的立体动力学性质进行了理论研究. 分别计算并讨论了碰撞能E_c=8和16 kcal/mol时反应的极化微分反应截面、两矢量k-j'相关分布函数P(θ_r)、 三矢量 k- k'- j'相关分布函数P(φ_r)、空间分布函数P(θ_r, φ_r). 结果表明, 对于上述的两个碰撞能, 由于同位素取代反应中质量因子的不同, 同位素效应对H+NH反应的立体动力学性质的影响很明显.     

Si_6X(X=Cu,Ag,和Au)团簇多激子产生的从头算研究（英文）

利用对称性组态相互作用理论(SAC-CI)和LANL2DZ基组研究Si_6X(X=Cu、Ag和Au)团簇的多激子产生(MEG).在团簇的MEG计算之前,基于密度泛函理论和全电子基组DZP-DKH,对团簇的几何结构进行优化并且经过频率分析确认团簇的能量稳定性.结果表明:多激子的主导成分是双激子,这些团簇的MEG都出现在可见光范围内,团簇的MEG强的部分在紫外线范围内,为利用MEG制备光俘获材料提供信息.     

Theoretical study of the influence of intense femtosecond laser field on the evolution of the wave packet and the population of NaRb molecule

Employing the two-state model and the time-dependent wave packet method, we have investigated the influences of the parameters of the intense femtosecond laser field on the evolution of the wave packet, as well as the population of ground and double-minimum electronic states of the NaRb molecule. For the different laser wavelengths, the evolution of the wave packet of 6{ }^1\Sigma ^ + state with time and internuclear distance is different, and the different laser intensity brings different influences on the population of the electronic states of the NaRb molecule. One can control the evolutions of wave packet and the population in each state by varying the laser parameters appropriately, which will be a benefit for the light manipulation of atomic and molecular processes.     

Ultra-High Sensitivity Viscometer Based on a Torsion Pendulum

Based on a conventional torsion pendulum,we develop a forced oscillation viscometer with ultra-high viscosity sensitivity of 2×10~(-7)Pa·s working at frequencies near the resonance.The viscosity is achieved by exploiting the phase lag for the angle displacement behind the torque,instead of the resonant curve,i.e.,the variation of angle displacement amplitude versus frequency.The general formula for the measurement of the visco-elasticit.y of complex fluids is also presented.With such precision it is easy to measure tiny change in viscosity result from circumstantial influences.Deionized water and two kinds of NaCl aqueous solutions are chosen to demonstrate the performance of our home-made torsion pendulum-based viscometer.