氢分子离子库仑爆炸中核动力学的理论研究

在非Born-Oppenheimer近似条件下, 通过数值求解一维含时薛定谔方程, 理论模拟了氢分子离子处于不同初始核振动态的库仑爆炸核动能释放谱并探究了氢分子离子发生库仑爆炸时的核动力学. 数值结果表明: 初始核振动态的选取在很大程度上影响着氢分子离子发生库仑爆炸时的核动力学,且高低振动态的选取分别对其核动力学的影响呈现出相反的变化趋势.

Theoretical investigation of nuclear dynamics

The Coulomb explosion kinetic-energy-release spectra of H2+ in various initial vibrational states is theoretically simulated and the nuclear dynamics of H2+ in Coulomb explosion is investigated by numerically solving the one-dimensional time-dependent Schrödinger equation in non Born-Oppenheimer approximation. The numerical results interpret that the nuclear dynamics of H2+ in Coulomb explosion depends largely on the selection of the initial vibrational states and the dependency is opposite when the high and low initial vibrational states are selected, respectively.