Monitoring the characteristic properties of Ga-doped ZnO by Raman spectroscopy and atomic scale calculations

Generalized Gradient Approximation Made Simple

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Numerical Analysis, Engineering, Machine Learning +19

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

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Projector augmented-wave method

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Optical Materials, Engineering, Acoustic Metamaterial +18

<i>Ab initio</i>molecular dynamics for liquid metals

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