Structural, elastic, electronic and chemical bonding properties of AB (A = Sc, Y, La; B = N, P, As, Sb, Bi) from first principles

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

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R. Hill · Proceedings of the Physical Society Section A · 1952 · 11.2K citations

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XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals

S.F. Pugh · The London Edinburgh and Dublin Philosophical Magazine and Journal of Science · 1954 · 8.4K citations

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Finite Elastic Strain of Cubic Crystals

Francis Birch · Physical Review · 1947 · 6.4K citations

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Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

Fabien Tran, Peter Blaha · Physical Review Letters · 2009 · 5.9K citations

Natural Sciences, Chemistry, Physics +17