Nan Xu

icon location Hangzhou,PRC icon location Associated Professor in Zhejiang University

Results 1 issues of Nan Xu

Some calculations may converge to unstable wavefunction

We checked those confomations with large errors, and found that some of them may be due to unstable wavefunction solution. Using this molecule as an example ![image](https://github.com/user-attachments/assets/f71838b8-a85c-405e-a7c5-e65a04ce1811) We did a...