First-principle calculations of the electronic, optical and elastic properties of ZnSiP2 semiconductor

Special points for Brillouin-zone integrations

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Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.5K citations · Full text

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Ground State of the Electron Gas by a Stochastic Method

David M. Ceperley, B. J. Alder · Physical Review Letters · 1980 · 14.1K citations

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

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Engineering, Material Simulation, Simulation +22

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D. R. Hamann, M. Schlüter, Chun-Yueh Chiang · Physical Review Letters · 1979 · 4.3K citations

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