Assessment of Perturbative Explicitly Correlated Methods for Prototypes of Multiconfiguration Electronic Structure
J Chem Theory Comput
.
2014 Jan 14;10(1):90-101.
doi: 10.1021/ct4006773.
Epub 2013 Dec 4.
Authors
Luke B Roskop
1
,
Liguo Kong
2
,
Edward F Valeev
2
,
Mark S Gordon
1
,
Theresa L Windus
1
Affiliations
1
Department of Chemistry, Iowa State University , Ames, Iowa 50010, United States.
2
Department of Chemistry, Virginia Tech , Blacksburg, Virginia 24061, United States.
PMID:
26579894
DOI:
10.1021/ct4006773
No abstract available