26 citations · 28 across the 9 of their papers we have counts for
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cond-mat.soft2024
Emergence of Accurate Atomic Energies from Machine Learned Noble Gas Potentials
Frank Uhlig, Samuel Tovey, Christian Holm
The quantum theory of atoms in molecules (QTAIM) gives access to well-defined local atomic energies. Due to their locality, these energies are potentially interesting in fitting at…
cond-mat.soft2017★ 26 cited
Disentangling Structural Information From Core-level Excitation Spectra
Johannes Niskanen, Christoph J. Sahle, Keith Gilmore +3
Core-level spectra of liquids can be difficult to interpret due to the presence of a range of local environments. We present computational methods for investigating core-level spec…