Concepedia

Chemical shift reference scale for Li solid state NMR derived by first-principles DFT calculations

S. Kocher, P. Philipp M. Schleker, Magnus Frederic Graf, Rüdiger‐A. Eichel, Karsten Reuter, Josef Granwehr, Ch. Scheurer

Journal of Magnetic Resonance · 2018 · 31 citations · 83 references

DOI

Concepts

References

83

Generalized Gradient Approximation Made Simple

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

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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

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

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