2 Questions 2 Answers 0 Followers
Questions related from Yifan Wu
Hello! I am a beginner in DFT calculations. I found partial occupancy difficult to handle in DFT calculation cuz a large amount of computation maybe investigated in finding the most stable...
30 March 2021 592 1 View
As we know, differences in coordination environment of transition metal atoms may lead to distinct types of orbital splitting, and thus distinct electronic distributions on molecular...
09 January 2019 9,709 3 View