Efficient hydrogen storage in LiMgF3: A first principle study

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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Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

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Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

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Norm-Conserving Pseudopotentials

D. R. Hamann, M. Schlüter, Chun-Yueh Chiang · Physical Review Letters · 1979 · 4.4K citations

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