Department of Physics, Dalian University of Technology, Dalian 116024, China.
J Chem Phys. 2010 Jun 28;132(24):244311. doi: 10.1063/1.3458913.
We demonstrate theoretically an efficient field-free orientation in LiH and LiCl driven by available terahertz few-cycle pulses (TFCPs). Exact results by numerically solving the time-dependent Schrodinger equation including the vibrational and rotational degrees of freedom are compared to the rigid-rotor approximation (RRA) as well as to the impulsive approximation (IA), and the effect of rotational-vibrational coupling on the both RRA and IA is examined in detail. We find that the current available TFCPs may overcome the technical limitation of terahertz half-cycle pulse for enhancing the field-free molecular orientation.
我们从理论上证明了在 LiH 和 LiCl 中通过可用的太赫兹少周期脉冲(TFCPs)实现高效的无场取向。通过数值求解包括振动和转动自由度的含时薛定谔方程得到的精确结果与刚性转子近似(RRA)和脉冲近似(IA)进行了比较,并详细研究了转动-振动耦合对 RRA 和 IA 的影响。我们发现,目前可用的 TFCPs 可能克服太赫兹半周期脉冲在增强无场分子取向方面的技术限制。