Concepedia

Al-rich beta zeolites. Distribution of Al atoms in the framework and related protonic and metal-ion species

Petr Sazama, Edyta Tábor, Petr Klein, Blanka Wichterlová, Štěpán Sklenák, Lukas Mokrzycki, Veronika Pashkkova, Masaru Ogura

Journal of Catalysis · 2015 · 114 citations · 57 references

DOI

Concepts

References

57

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

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