极性分子超冷碰撞动力学性质研究

项目名称： 极性分子超冷碰撞动力学性质研究

项目编号： No.11474142

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 王美山

作者单位： 鲁东大学

项目金额： 85万元

中文摘要： 随着超冷分子制备技术的发展，超冷分子碰撞及其相互作用的研究日益受到量子信息科学、凝聚态物理、精密光谱、超冷控制化学、多体物理等领域的关注。极性分子超冷碰撞实验要求对超冷温度下相互作用和碰撞机理有清晰的理解，这使得超冷温度下分子间相互作用的精确表征和碰撞动力学研究成为两项艰巨、紧迫的任务。本项目首先构建实验上已经实现或被建议的超冷碰撞极性分子NHRb、OHLi和 K2Rb等体系的适合超冷碰撞动力学研究的精确解析势能面；其次在已有势能面和我们新构建势能面基础上，用非含时量子散射方法研究NH2 、OHRb和K2Rb等体系在无外场情况下的动力学性质（标量性质和矢量性质）；最后研究电场和磁场以及限制几何结构对上述体系超冷碰撞动力学性质的影响。通过与已有实验结果或理论结果比较，得到相关极性分子超冷碰撞的完整动力学信息和碰撞机理，为实验上实现超冷分子制备和超冷碰撞操控提供理论支持。

中文关键词： 超冷碰撞；精确解析势能面；立体动力学；非含时量子散射方法；极性分子

英文摘要： With the development of the preparation technology of ultracold molecules, Ultracold molecular collisions and their interactions have become an increasing concern on the research fields of quantum information science, condensed matter physics, high-precision spectroscopy,ultracold control of chemistry,and many-body physics. The progress in ultracold experiments with polar molecules requires a clear understanding of the atom-polar molecule or polar molecule-polar molecule interaction and the mechanism of ultracold collision. Two challenging and urgent tasks in this process are the characterization of interaction and the modeling of the ultracold collision mechanism between atom and polar molecule or polar molecule and polar molecular. Firstly, This project constructs the accurately analytical potential energy surface for ultracold collision dynamics of polar molecular systems NHA (A=Rb,Cs,Be,Mg),OHB(B=Li,Rb), and K2Rb, which have been achieved in the experiment or suggested.Secondly, employing the existing or newly constructed potential energy surface by us, we investigate the dynamical properties (the scalar and vector properties) of NHA (A=H,Li,Rb,Cs, Be, Mg),OHB(B=Li,Rb)，and KRbC(C=K,KRb)in absence of external field by time-independent quantum scattering method. Lastly, we study the effect of the external electric and magnetic fields as well as the confined geometry on ultracold collision dynamics properties of the above systems. Compared with the available experimental results or theoretical results, the complete dynamics and mechanism of ultracild collisions of the related polar molecules are obtained, which can provide the theoretical support for the preparation of ultracold polar molecules and the control of ultracold collisions from the experiment.

英文关键词： ultracold collision;accurately analytical potential energy surface;stereodynamics;time-independent quantum scattering method;polar molecule