40 citations · 427 across the 32 of their papers we have counts for
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physics.chem-ph2024★ 11 cited
Highly Accurate Real-space Electron Densities with Neural Networks
Lixue Cheng, P. Bernát Szabó, Zeno Schätzle +7
Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extractio…
physics.chem-ph2024★ 17 cited
Exploiting the hessian for a better convergence of the SCF RDMFT procedure
Nicolas G. Cartier, Klaas J. H. Giesbertz
One-body reduced density matrix functional theory (RDMFT) provides an alternative to Density Functional Theory (DFT), able to treat static correlation while keeping a relatively lo…