4.4 Article

Can incremental expansions cope with high-order coupled-cluster contributions?

Journal

MOLECULAR PHYSICS
Volume 108, Issue 3-4, Pages 243-248

Publisher

TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970903313675

Keywords

ab initio; coupled cluster; increments

Ask authors/readers for more resources

Local-correlation incremental expansions have been used for the evaluation of high-order coupled-cluster corrections to atomization energies, in exploratory calculations for small molecules. Expansion up to (at least) three-body terms seems to be necessary in terms of localized orbitals, within the occupied space, whereas truncation after two-body inter-atomic terms appears to be sufficient in the virtual space.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.4
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available