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density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1

From the 1 of 6 linked papers with an AI index.

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20082012
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 29.3k across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2012★ 35 cited

K-edge X-ray absorption spectra in transition metal oxides beyond the single particle approximation: shake-up many body effects

M. Calandra, J. P. Rueff, C. Gougoussis +7

The near edge structure (XANES) in K-edge X-ray absorption spectroscopy (XAS) is a widely used tool for studying electronic and local structure in materials. The precise interpreta…