Concepedia

Electronic structure and magnetism of Fe3Al1−xSix alloys

Xinguo Ma, Jianjun Jiang, Shaowei Bie, Ling Miao, Chenyan Zhang, Z.Y. Wang

Intermetallics · 2010 · 28 citations · 18 references

DOI

Concepts

References

18

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

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

General methods for geometry and wave function optimization

Thomas Fischer, Jan Almløf · The Journal of Physical Chemistry · 1992 · 2.6K citations

, , +6

Population analysis of plane-wave electronic structure calculations of bulk materials

Matthew Segall, Rajiv Shah, Chris J. Pickard et al. · Physical review. B, Condensed matter · 1996 · 1.3K citations

, , +12