An insight into indium effect on the crystal structure and thermoluminescence of LiMgPO4: Combined experiment and ab initio calculations

Generalized Gradient Approximation Made Simple

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Natural Sciences, Chemistry, Physics +16

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

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From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

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

R. D. Shannon · Acta Crystallographica Section A · 1976 · 64.8K citations

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Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database

I. D. Brown, D. Altermatt · Acta Crystallographica Section B Structural Science · 1985 · 9.4K citations

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