Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 122, Issue 1, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1824880
Keywords
-
Ask authors/readers for more resources
We consider the extrapolation of the one-electron basis to the basis set limit in the context of coupled cluster calculations. We produce extrapolation coefficients that produce much more accurate results than previous extrapolation forms. These are determined by fitting to accurate benchmark results. For coupled cluster singles doubles energies, we take our benchmark results from the work of Klopper that explicitly includes the interelectronic distance. For the perturbative triples energies, our benchmark results are obtained from large even-tempered basis set calculations. (C) 2005 American Institute of Physics.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available