Concepedia

Ultra soft pseudo potential investigation of fundamental physical properties of CaXO3 (X=Sn and Hf) distorted perovskites: A reference study to the perfect perovskites

Djellal Cherrad, D. Maouche, M. Boudissa, M. Reffas, L. Louail, Mustapha Maamache, K. Haddadi, Y. Medkour

Physica B Condensed Matter · 2013 · 41 citations · 34 references

DOI

Concepts

References

34

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.8K citations · Full text

, , +16

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

, , +17

Ground State of the Electron Gas by a Stochastic Method

David M. Ceperley, B. J. Alder · Physical Review Letters · 1980 · 14.2K citations

, , +16

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +11

"Special points for Brillouin-zone integrations"—a reply

J.D. Pack, Hendrik J. Monkhorst · Physical review. B, Solid state · 1977 · 3.3K citations

, , +11