重粒子碰撞普遍存在于天体物理和和实验室等离子体环境中，其反应截面和速率系数对等离子体模拟和诊断至关重要，因此研究外势场对重粒子碰撞影响具有重要的科学价值和应用意义。本项目拟采用多组态含时Hartree方法（MCTDH）求解含时薛定谔方程，研究低能离子-原子/分子碰撞过程，并探索激光对碰撞过程电荷转移影响和调控机制。首先，采用多参考组态相互作用方法精确计算碰撞体系的电子态势能面、耦合矩阵元和偶极跃迁矩阵元；其次，基于MCTDH框架，发展流算符方法提取反应截面，研究低能离子与原子/分子碰撞过程；最后，利用发展的MCTDH方法程序，研究激光场中低能离子-原子/分子碰撞过程，通过优化激光参数，探索激光调控氢离子-锂原子碰撞反应微观机理，并进一步探索激光调控离子-分子碰撞过程，研究初始振转态对激光调控电荷转移的影响。通过本项目研究，初步建立激光调控重粒子碰撞中电荷转移有效方案。

Heavy particle collisions exist ubiquitously in many fields, such as astrophysics and laboratory plasma, where the cross sections and rate coefficients are extremely important to plasma simulation and diagnostics. In this context, the investigation of influence of external fields on heavy particle collisions is of importance for both fundamental research and relevant applications. In this project, we solve the time-dependent Schrödinger equation by employing a multiconfiguration time-dependent Hartree (MCTDH) method to study ion-atom/molecule collisions at low energies, and on this basis we will investigate the mechanisms of laser field control of charge transfer in heavy particle collisions. First of all, in the framework of multireference configuration interaction, we carry out accurate calculations of electronic potential energy surfaces and non-adiabatic couplings and (transition and permanent) dipole moments for systems under study. Secondly, we develop a flux operator approach to extract and analyze the cross sections in the framework of MCTDH in order to study low-energy ion-atom/molecule collisions. Finally, we focus on the heavy particle collisions at low energies in the presence of linearly polarized laser fields by means of the MCTDH method. In this section, we will optimize laser parameters to study the mechanisms of laser manipulation on charge transfer of the proton(or hydrogen atom) colliding with a lithium atom. Furthermore, ion-molecule collisions illuminated by lasers will be studied, in which the influence of initial ro-vibrational states on the charge transfer will be revealed. The goal of this project is to preliminarily establish an effective strategy for the laser manipulation of charge transfer in heavy particle collisions.