Vladimir A. Basiuk

2 Questions 61 Answers 0 Followers

Questions related from Vladimir A. Basiuk

DFT-D parameters c6 and r0 for heavy elements including lanthanides?

Dear all, please could you help me where to can I find the DFT-D parameters (c6 and r0) for heavy elements including lanthanides? Any file or publication? Thank you in advance.

04 November 2019 9,247 2 View

Can Counterpoise correction result in an increase in binding energy?

Can Counterpoise correction result in an increase in binding energy for a noncovalently bonded system? The usual situation is opposite.

10 December 2018 2,239 0 View