1. School of Physics, Beihang University, Beijing 100191, China
2. School of Chemistry, Beihang University, Beijing 100191, China
3. Department of Chemistry, University of Zurich, Zurich, Switzerland
4. Scientific Computing Department, STFC UKRI, Rutherford Appleton Laboratory, Harwell Campus, OX11 0QX Didcot, UK
5. Department of Chemistry, Princeton University, Princeton, NJ 08544, USA