Concepedia

A computational method to estimate spin–orbital interaction strength in solid state systems

Qiangqiang Gu, Shishir Kumar Pandey, Rajarshi Tiwari

Computational Materials Science · 2023 · 19 citations · 47 references

DOI

Concepts

References

47

Generalized Gradient Approximation Made Simple

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

, , +16

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

A Simplex Method for Function Minimization

J. A. Nelder, R. Mead · The Computer Journal · 1965 · 28.9K citations

, , +8