Authors
Ryan M Richard, Ka Un Lao, John M Herbert
Publication date
2014/7/7
Journal
The Journal of Chemical Physics
Volume
141
Issue
1
Publisher
AIP Publishing
Description
Electronic structure methods based on low-order “n-body” expansions are an increasingly popular means to defeat the highly nonlinear scaling of ab initio quantum chemistry calculations, taking advantage of the inherently distributable nature of the numerous subsystem calculations. Here, we examine how the finite precision of these subsystem calculations manifests in applications to large systems, in this case, a sequence of water clusters ranging in size up to
Scholar articles
RM Richard, KU Lao, JM Herbert - The Journal of Chemical Physics, 2014