49 citations · 57 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2021★ 6 cited
Accurate Frozen Core Approximation for All-Electron Density-Functional Theory
Victor Wen-zhe Yu, Jonathan Moussa, Volker Blum
We implement and benchmark the frozen core approximation, a technique commonly adopted in electronic structure theory to reduce the computational cost by means of mathematically fi…
cond-mat.mtrl-sci2012
Accurate numerical integration of an electron exchange hole with a screened Coulomb interaction
Jonathan E. Moussa, Peter A. Schultz
The numerical implementation of an exchange-correlation functional is not always an accurate reproduction of its theoretical specification. For example, density functionals for exc…
cond-mat.mtrl-sci2012★ 49 cited
Comment on "Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning"
Jonathan E. Moussa
A Comment on the Letter by M. Rupp et al., Phys. Rev. Lett. 108 058301 (2012).