Lu Rui-Feng, Zhang Pei-Yu, Han Ke-Li
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China.
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Jun;77(6 Pt 2):066701. doi: 10.1103/PhysRevE.77.066701. Epub 2008 Jun 2.
A parallel quantum electron and nuclei wave packet computer code, LZH-DICP, has been developed to study laser-atom-molecule interaction in the nonperturbative regime with attosecond resolution. The nonlinear phenomena occurring in that regime can be studied with the code in a rigorous way by numerically solving the time-dependent Schrödinger equation of electrons and nuclei. Time propagation of the wave functions is performed using a split-operator approach, and based on a sine discrete variable representation. Photoelectron spectra for hydrogen and kinetic-energy spectra for molecular hydrogen ion in linearly polarized laser fields are calculated using a flux operator scheme, which testifies to the validity and the high efficiency of LZH-DICP.
已经开发了一种并行量子电子与原子核波包计算机代码LZH-DICP，用于研究非微扰 regime 下具有阿秒分辨率的激光-原子-分子相互作用。通过数值求解电子和原子核的含时薛定谔方程，可以用该代码严格研究该 regime 中出现的非线性现象。波函数的时间传播使用分裂算符方法，并基于正弦离散变量表示来进行。使用通量算符方案计算了线性偏振激光场中氢的光电子能谱和分子氢离子的动能谱，这证明了LZH-DICP的有效性和高效率。
