Surface segregation of core atoms in core–shell structures

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Numerical Analysis, Engineering, Computational Chemistry +17

Projector augmented-wave method

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Engineering, Optic Design, Augmentation Procedure +19

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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Special points for Brillouin-zone integrations

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

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Quantum Liquid, Liquid Metals, Engineering +15