The DOI matches its Crossref record; 36 of the 36 references it cites were found in a registry or an index.
The description of N2 and F2 potential energy surfaces using multireference coupled cluster theory
Abstract
The ground state potential energy surfaces (PES’s) for diatomic nitrogen and fluorine are examined using a version of our recently published linearized multireference coupled cluster method (MR-LCCM). Comparison calculations employing a variety of standard ab initio techniques such as single reference configuration interaction singles and doubles (CISD), many-body perturbation theory (MBPT), coupled cluster single and doubles (CCSD), and multireference (MR)-CISD were also performed. In addition, the PES’s were also investigated using the newly developed CCSDT-1 method, which includes the dominant effect of T̂3. These single reference procedures fail in various ways (with the possible exception of the CCSDT-1 method), while the MR-LCCM method is shown to compare favorably to the more traditional MR-CI techniques. Like the MR-CIs, the MR-LCCM energy curves dissociate correctly and the two are nearly parallel.
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Cites
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Cited by
Coupled-cluster theory in quantum chemistry
Bartlett, R. J., & Musiał, M. (2007) · Reviews of Modern Physics · doi:10.1103/revmodphys.79.291 · Cited by 3,343
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Use of Cluster Expansion Methods in the Open-Shell Correlation Problem
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A unitary multiconfigurational coupled-cluster method: Theory and applications
Hoffmann, M. R., & Simons, J. (1988) · The Journal of Chemical Physics · doi:10.1063/1.454125 · Cited by 193
Metadata
- Authors
- Laidig, W. D., Saxe, P., & Bartlett, R. J.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1987-01-15
- Volume
- 86
- Issue
- 2
- Pages
- 887-907
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2011910654
- Cited by
- 332
- References
- 36
- FWCI
- 11.75
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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