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20122026
most citedSPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Extended systems

140 citations · 1k across the 66 of their papers we have counts for

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Showing 2014 · physics.comp-phShow all

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physics.comp-ph2014★ 1 cited

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

Swarnava Ghosh, Phanish Suryanarayana

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local r…

physics.comp-ph2014★ 45 cited

Augmented Lagrangian formulation of Orbital-Free Density Functional Theory

Phanish Suryanarayana, Deepa Phanish

We present an Augmented Lagrangian formulation and its real-space implementation for non-periodic orbital-free Density Functional Theory (OF-DFT) calculations. In particular, we re…