most citedFrozen-Density Embedding for including environmental effects in the Dirac-Kohn-Sham theory: an implementation based on density fitting and prototyping techniques

11 citations · 11 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2023

Chemical bond analysis for the entire periodic table: Energy Decomposition and Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework

Diego Sorbelli, Paola Belanzoni, Loriano Storchi +4

Chemical bonding is a ubiquitous concept in chemistry and it provides a common basis for experimental and theoretical chemists to explain and predict the structure, stability and r…

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…