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20192026
most citedA periodic equation-of-motion coupled-cluster implementation applied to -centers in alkaline earth oxides

43 citations · 196 across the 13 of their papers we have counts for

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cond-mat.mtrl-sci2022

Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions

Evgeny Moerman, Felix Hummel, Andreas Grüneis +2

Coupled cluster (CC) theory is often considered the gold standard of quantum-chemistry. For solids, however, the available software is scarce. We present CC-aims, which can interfa…