ABC+D

The current codes implement full-dimensional non-reactive state-to-state scattering dynamics between a closed-shell triatomic molecule and a closed-shell atom by using time-independent quantum mechanical method. Two approximated approaches are available respectively in two folders: 1) K-truncated scheme; 2) Extended Coupled-States (ECS) approximation.

本套代码采用不含时量子力学方法，实现了闭壳层三原子分子与闭壳层原子之间的全维无反应态-态散射动力学模拟。本代码库的两个子文件夹分别提供了两种近似方案：1）K截断方案；2）扩展耦合态（Extended Coupled-States, ECS）近似。