11 citations · 17 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2022★ 11 cited
Frozen-Density Embedding for including environmental effects in the Dirac-Kohn-Sham theory: an implementation based on density fitting and prototyping techniques
Matteo De Santis, Diego Sorbelli, Valerie Vallet +3
The Frozen Density Embedding scheme represents an embedding method in which environmental effects onto a given subsystem are included by representing the other subsystems making up…
physics.chem-ph2021★ 6 cited
Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches
Matteo De Santis, Valérie Vallet, André Severo Pereira Gomes
In this work we implement the real-time time-dependent block-orthogonalized Manby-Miller embedding (rt-BOMME) approach alongside our previously developed real-time frozen density e…