Concepedia

Adsorption difference of sodium alginate on marmatite (1 1 0) and galena (1 0 0): A DFT study

Hongxin Qiu, Jiushuai Deng, Bozeng Wu, Jianhua Chen, Xiaohao Sun, Mingzhen Hu, Jiaozhong Cai, Zherui Chen, Cheng Zheng

Applied Surface Science · 2023 · 35 citations · 42 references

DOI

Concepts

References

42

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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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

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Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Dirk Andrae, Michael Dolg, Hermann Stoll · Theoretica Chimica Acta · 1990 · 8.5K citations

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Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

Joost VandeVondele, Matthias Krack, Fawzi Mohamed et al. · Computer Physics Communications · 2005 · 5.7K citations · Full text

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