Author(s): Simon Klüpfel, Peter Klüpfel, and Hannes Jónsson
The ground state of atoms from H to Ar was calculated using a self-interaction correction to local- and gradient-dependent density functionals. The correction can significantly improve the total energy and makes the orbital energies consistent with ionization energies. However, when the calculation …
[Phys. Rev. A 84, 050501] Published Tue Nov 01, 2011
If you enjoyed this article, please consider sharing it!
