Density functional theory calculations of adsorption-induced surface stress changes

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

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The role of surface stress in reconstruction, epitaxial growth and stabilization of mesoscopic structures

H. Ibach · Surface Science Reports · 1997 · 836 citations

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Quantum-mechanical theory of stress and force

O. H. Nielsen, Richard M. Martin · Physical review. B, Condensed matter · 1985 · 790 citations

Natural Sciences, Physics, Condensed Matter Physics +15

First-Principles Calculation of Stress

O. H. Nielsen, Richard M. Martin · Physical Review Letters · 1983 · 712 citations

Natural Sciences, Materials Science, Physics +17