Given the energy scales involved, it's more likely that the issue lies with the approximations DFT makes to quantum mechanics, rather than the approximations quantum mechanics makes to quantum field theory.
I agree. There are some important relativistic correction for heavy atoms like Gold where the inner electrons are "rotating" too fast near the nuclei, but for Boron it's not necessary to do that correction.
I agree. There are some important relativistic correction for heavy atoms like Gold where the inner electrons are "rotating" too fast near the nuclei, but for Boron it's not necessary to do that correction.