Extending the limit of LR-TDDFT on two different approaches: Numerical algorithms and new Sunway heterogeneous supercomputer.
Qingcai JiangZhenwei CaoXinhui CuiLingyun WanXinming QinHuanqi CaoHong AnJunshi ChenJie LiuWei HuJinlong YangPublished in: Parallel Comput. (2024)