activity
20132025
most citedApplying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

117 citations · 523 across the 19 of their papers we have counts for

collaborators
Showing 2021Show all

1 paper · 1 filter

physics.chem-ph2021★ 33 cited

Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: the case of water on graphitic carbon nitride

Tobias Schäfer, Alejandro Gallo, Andreas Irmler +2

A first-principles study of the adsorption of a single water molecule on a layer of graphitic carbon nitride employing an embedding approach is presented. The embedding approach in…