Domain-averaged Fermi hole versus regional reduced density matrices: a critical comparison
Quantum Physics
2008-07-16 v1
Abstract
In their recent work Cooper and Ponec [Phys. Chem. Chem. Phys., 2008, 10, 1319-1329] proposed a ``one-electron approximation to domain-averaged Fermi hole (DAFH)" used in electronic population studies. The goal of this comment is to note that the proposal had been already published within the framework of domain-restricted reduced density matrices (-RDM) and to show that it cannot conceptually be considered as an approximation to DAFH as the authors invoke.
Keywords
Cite
@article{arxiv.0807.2425,
title = {Domain-averaged Fermi hole versus regional reduced density matrices: a critical comparison},
author = {Diego R. Alcoba and Roberto C. Bochicchio and Luis Lain and Alicia Torre},
journal= {arXiv preprint arXiv:0807.2425},
year = {2008}
}
Comments
four pages, no figures