MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions

MP-CITDSE is a package of programs which solves the time-dependent Schrödinger equation for hydrogenic and helium-like atomic systems interacting with an ultra-short laser pulse (of attosecond or femtosecond duration). The output of the computations – with some minimal processing – may be used to calculate excited populations, single and double ionisation yields, kinetic, angular and radial electron distributions, and harmonic yields. For the Helium atom, a full account of the inter-electronic correlation effects is included via a configuration interaction approach; for the time propagation of the wavefunction a spectral basis expansion on the eigenstates of the field-free Hamiltonian is used; for this reason post-processing of the expansion coefficients just after the pulse lead to simple formulas for quantities of experimental interest.

MP-CITDSE是一款程序包，可用于求解与阿秒或飞秒级超短激光脉冲相互作用的类氢与类氦原子体系的含时薛定谔方程。经少量后处理的计算结果，可用于激发态布居数、单双电离产率、电子的动能分布、角分布与径向分布以及谐波产率的计算。针对氦原子体系，该程序通过组态相互作用（configuration interaction）方法完整考虑了电子间的关联效应；在波函数的时间演化计算中，程序采用无场哈密顿量本征态的谱基矢展开方法；正因如此，在脉冲结束后对展开系数进行后处理，即可通过简洁公式得到具有实验研究价值的各类物理量。