17 citations · 19 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2025★ 2 cited
Impact of Parametrizations of the One-Body Reduced Density Matrix on the Energy Landscape
Nicolas Cartier, Klaas Giesbertz
Many electronic structure methods rely on the minimization of the energy of the system with respect to the one-body reduced density matrix (1-RDM). To formulate a minimization algo…
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…