Band engineering of ZnS by codoping for visible-light photocatalysis

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 68.3K citations

Numerical Analysis, Spectral Theory, Wave Vector +19

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations

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First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.6K citations · Full text

Engineering, Material Simulation, Simulation +22

TiO₂ Photocatalysis: A Historical Overview and Future Prospects

Kazuhito Hashimoto, Hiroshi Irie, Akira Fujishima · Japanese Journal of Applied Physics · 2005 · 3.3K citations · Full text

Materials Science, Chemical Engineering, Scientific Research +15