Ítems similars

• Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J
  per: MacEnulty, Lórien, et al.
  Publicat: (2023)
• Facilities and practices for linear response Hubbard parameters U and J in Abinit
  per: MacEnulty, Lórien, et al.
  Publicat: (2024)
• Accurate bandgaps of photovoltaic kesterites from first-principles DFT+U
  per: Burgess, Andrew C., et al.
  Publicat: (2025)
• Minimum tracking linear response Hubbard and Hund corrected Density Functional Theory in CP2K
  per: Chai, Ziwei, et al.
  Publicat: (2024)
• DFT+U+J with linear response parameters predicts non-magnetic oxide band gaps with hybrid-functional accuracy
  per: Lambert, Daniel S., et al.
  Publicat: (2021)