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

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20032009
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 29.3k across the 2 of their papers we have counts for

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cond-mat.str-el2008★ 14 cited

On the ab initio calculation of CVV Auger spectra in closed-shell systems

G. Fratesi, M. I. Trioni, G. P. Brivio +3

We propose an ab initio method to evaluate the core-valence-valence (CVV) Auger spectrum of systems with filled valence bands. The method is based on the Cini-Sawatzky theory, and…