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Local Response Theory of Electrified Interfaces from Screened Effective Charges

Hörmann, Nicolas G. et al.
arXiv (OAI Expanded) · Papers
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chemical-physicscomputational-physicsmaterials-science
First-principles, electronic-structure simulations provide direct access to ground-state, global system properties. In the context of computational electrochemistry these are, e.g., bias-dependent energies, free energies, work functions, and capacitances. However, a comparably systematic local descr
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