Hartree-Fock simulation of the (0 0 0 1) surface of hematite with a posteriori calculation of the correlation energy

Hartree-Fock simulation of the (0 0 0 1) surface of hematite with a posteriori calculation of the correlation energy

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 137, September 2017, Pages 340-345

Thomas Stirner, David Scholz, Jizhong Sun,