Concepedia

X-ray/neutron diffraction studies and ab initio electronic structure of CeMgNi4 and its hydride

Jean‐Gabriel Roquefere, Samir F. Matar, Jacques Huot, Jean‐Louis Bobet

Solid State Sciences · 2009 · 40 citations · 33 references

DOI

Concepts

References

33

Generalized Gradient Approximation Made Simple

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

, , +16

Projector augmented-wave method

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

, , +17

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

, , +17

Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations

Richard Dronskowski, Peter E. Bloechl · The Journal of Physical Chemistry · 1993 · 4.5K citations

, , +14