Concepedia

First-principles equation of state and phase stability of niobium pentoxide

Camilo Valencia‐Balvín, Santiago Pérez‐Walton, Gustavo M. Dalpian, J. M. Osorio-Guillén

Computational Materials Science · 2013 · 76 citations · 34 references

DOI

Concepts

References

34

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.7K citations · Full text

, , +13

Linear optical properties in the projector-augmented wave methodology

Marek Gajdoš, Kerstin Hummer, Georg Kresse et al. · Physical Review B · 2006 · 3.4K citations

, , +16