Concepedia

Structural, electronic, optical and thermodynamic investigations of NaXF 3 (X = Ca and Sr): First-principles calculations

M. Benkabou, M. Harmel, A. Haddou, A. Yakoubi, N. Baki, R. Ahmed, Y. Al‐Douri, S. V. Syrotyuk, H. Khachai, R. Khenata,

Chinese Journal of Physics · 2017 · 160 citations · 34 references

DOI

Concepts

References

34

Generalized Gradient Approximation Made Simple

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

, , +16

Self-Consistent Equations Including Exchange and Correlation Effects

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

, , +15

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

The Compressibility of Media under Extreme Pressures

F. D. Murnaghan · Proceedings of the National Academy of Sciences · 1944 · 8.6K citations · Full text

, , +10

Improved tetrahedron method for Brillouin-zone integrations

Peter E. Blöchl, O. Jepsen, O. K. Andersen · Physical review. B, Condensed matter · 1994 · 7.2K citations

, , +12