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20032020
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 4.9k across the 15 of their papers we have counts for

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cond-mat.mtrl-sci2003★ 53 cited

Ab initio linear scaling response theory: Electric polarizability by perturbed projection

Valery Weber, Anders Niklasson, Matt Challacombe

A linear scaling method for calculation of the static {\em ab inito} response within self-consistent field theory is developed and applied to calculation of the static electric pol…