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20172025
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.5k across the 23 of their papers we have counts for

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Showing 2019Show all

2 papers · 1 filter

cond-mat.mtrl-sci2019★ 433 cited

The GW compendium: A practical guide to theoretical photoemission spectroscopy

Dorothea Golze, Marc Dvorak, Patrick Rinke

The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials. In the realm of theoreti…

physics.chem-ph2019★ 139 cited

Accurate absolute and relative core-level binding energies from

Dorothea Golze, Levi Keller, Patrick Rinke

We present an accurate approach to compute X-ray photoelectron spectra based on the Green's function method, that overcomes shortcomings of common density functional theory ap…