58 citations · 127 across the 3 of their papers we have counts for
3 papers
Orbital-Free DFT Correctly Models Quantum Dots When Asymptotics, Nonlocality and Nonhomogeneity Are Accounted For
Wenhui Mi, Michele Pavanello
Million-atom quantum simulations are in principle feasible with Orbital-Free Density Functional Theory (OF-DFT) because the algorithms only require simple functional minimizations…
Visible line intensities of the triatomic hydrogen ion from experiment and theory
Annemieke Petrignani, Max H. Berg, Florian Grussie +7
The visible spectrum of H3+ is studied using high-sensitivity action spectroscopy in a cryogenic radiofrequency multipole trap. Advances are made to measure the weak ro-vibrational…
Periodic Subsystem Density-Functional Theory
Alessandro Genova, Davide Ceresoli, Michele Pavanello
By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reduc…