I have calculated the partial charges using charge equilibration (Qeq) method. However, I would like to verified it using another methods such as extended charge (EQeq) or Density-Functional Theory (DFT).
I have read "An Extended Charge Equilibration Method" paper for Christopher E. Wilmer, Ki Chul Kim, and Randall Q. Snurr . However, I still need help with (EQeq) & (DFT) methods.
Thank you in advance