中文摘要：

本文利用蒙特卡罗方法模拟电子在激光场以及分子库仑势作用下的经典轨迹,研究了氢分子离子H2^＋的电离率和原子核间距的关系,为电荷共振电离增强现象提供了一种基于电子经典运动的解释.当原子核间距为5—6 a.u.时,H2^＋的电离率显著增大.电子的运动轨迹揭示此时电子先围绕其中一个原子核运动,在逐步获得越来越多的动能后,运动轨迹受到另一个原子核的强烈影响,最后电子逃逸原子核的束缚.原子核之间的库仑势垒和激光调制的库仑势垒的高度差与电离率的大小直接相关.

英文摘要：

Ionizations of atoms and molecules in strong laser fields are fundamental processes of ultrafast physics. Compared with atom ionization, molecular ionization is very complex due to the existence of multi Coulomb centers. As a simplest molecule, H2^＋ has been widely used to explore new phenomena of molecules in strong laser fields. One of the notable processes in H2^＋ ionization is charge resonance enhanced ionization（CREI）, in which the ionization rate is enhanced substantially when the internuclear distances are around 6 a.u. and 10 a.u. CREI has been extensively studied by numerically simulating the time-dependent Schr？dinger equation. While quantum calculations provide accurate ionization rates, the mechanism governing the CREI is not revealed in such ab-initio calculations. On the contrary, the calculations based on the classical trajectories Monte-Carlo assembly may offer an intuitive picture for CREI though some quantum information is not included. In this paper, we revisit the CREI of H2^＋ in a strong infrared laser field by Monte-Carlo simulation. By initializing ten-thousand classical points whose initial positions and velocities satisfy the field-free Hamiltonian of H2^＋ , we solve the classical Newtonian equation and obtain the trajectories of all particles, from which one may analyze the particle velocities, energies, etc. We count the ionization events by diagnosing the particle energy after the laser interaction. If the sum of the kinetic energy and potential energy is larger than 0, we set it as an ionization event.The ionization rate is calculated by collecting all ionization events and normalizing it with the total particle number involved in the calculation. By setting the internuclear distances to be different values, we obtain the ionization rate as a function of internuclear distance. Our simulation shows that the ionization probability is greatly enhanced when the internuclear distance is about 5 to 6 a.u. by employing a 1064 nm, 4 × 10^13W/cm^2, five cycles laser pulse. By tr