A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2017; you can also visit the original URL.
The file type is
Approaching the complete-basis limit with a truncated many-body expansion
Journal of Chemical Physics
High-accuracy electronic structure calculations with correlated wave functions demand the use of large basis sets and complete-basis extrapolation, but the accuracy of fragment-based quantum chemistry methods has most often been evaluated using double-ζ basis sets, with errors evaluated relative to a supersystem calculation using the same basis set. Here, we examine the convergence towards the basis-set limit of two-and three-body expansions of the energy, for water clusters and ion-waterdoi:10.1063/1.4836637 pmid:24329051 fatcat:qc2o46gu75hazd5vczapuqyyga