59 citations · 59 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023
Theoretical and numerical comparison of quantum- and classical embedding models for optical spectra
Marina Jansen, Peter Reinholdt, Erik D. Hedegård +1
Quantum-mechanical (QM) and classical embedding models approximate a supermolecular quantum chemical calculation. This is particularly useful when the supermolecular calculation ha…
physics.chem-ph2016★ 59 cited
Linear-scaling generation of potential energy surfaces using a double incremental expansion
Carolin König, Ove Christiansen
We present a combination of the incremental expansion of potential energy surfaces (PESs), known as n-mode expansion, with the incremental evaluation of the electronic energy in a…