The DOI matches its Crossref record; 27 of the 27 references it cites were found in a registry or an index.
The closed-shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results
Abstract
A single and double excitation coupled cluster (CCSD) method restricted to closed-shell single configuration reference functions is described in explicit detail. Some significant simplifications resulting from the restriction to closed-shell systems are exploited to achieve maximum computational efficiency. Comparisons for energetic results and computational requirements are made with the single and double excitation configuration interaction (CISD) method. The specific molecules considered include N2, H2O, H3O+, H5O+2, HSOH, and s-tetrazine (C2N4H2).
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Citations
Cites
A full coupled-cluster singles and doubles model: The inclusion of disconnected triples
Purvis, G. D., & Bartlett, R. J. (1982) · The Journal of Chemical Physics · doi:10.1063/1.443164 · Cited by 6,466
Dunning, T. H. (1970) · The Journal of Chemical Physics · doi:10.1063/1.1674408 · Cited by 5,032
Gaussian-Type Functions for Polyatomic Systems. I
Huzinaga, S. (1965) · The Journal of Chemical Physics · doi:10.1063/1.1696113 · Cited by 4,969
Configuration interaction calculations on the nitrogen molecule
Langhoff, S. R., & Davidson, E. R. (1974) · International Journal of Quantum Chemistry · doi:10.1002/qua.560080106 · Cited by 2,918
Methods of Electronic Structure Theory
(1977) · Springer eBooks · doi:10.1007/978-1-4757-0887-5 · Cited by 2,727
Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
Bartlett, R. J. (1981) · Annual Review of Physical Chemistry · doi:10.1146/annurev.pc.32.100181.002043 · Cited by 2,118
Bartlett, R. J., & Purvis, G. D. (1978) · International Journal of Quantum Chemistry · doi:10.1002/qua.560140504 · Cited by 1,575
Pople, J. A., Krishnan, R., Schlegel, H. B., & Binkley, J. S. (1978) · International Journal of Quantum Chemistry · doi:10.1002/qua.560140503 · Cited by 1,056
Towards a full CCSDT model for electron correlation
Urban, M., Noga, J., Cole, S. J., & Bartlett, R. J. (1985) · The Journal of Chemical Physics · doi:10.1063/1.449067 · Cited by 925
The World of Quantum Chemistry
(1974) · Springer eBooks · doi:10.1007/978-94-010-2156-2 · Cited by 677
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
Coupled cluster theory for high spin, open shell reference wave functions
Knowles, P. J., Hampel, C., & Werner, H.-J. (1993) · The Journal of Chemical Physics · doi:10.1063/1.465990 · Cited by 2,027
Hampel, C., Peterson, K. A., & Werner, H.-J. (1992) · Chemical Physics Letters · doi:10.1016/0009-2614(92)86093-w · Cited by 1,643
Coupled-cluster techniques for computational chemistry: The CFOUR program package
Matthews, D. A., Cheng, L., Harding, M. E., Lipparini, F., Stopkowicz, S., Jagau, T.-C., Szalay, P. G., Gauss, J., & Stanton, J. F. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0004837 · Cited by 729
In pursuit of the ab initio limit for conformational energy prototypes
Császár, A. G., Allen, W. D., & Schaefer, H. F. (1998) · The Journal of Chemical Physics · doi:10.1063/1.476449 · Cited by 718
Self-citation
Metadata
- Authors
- Scuseria, G. E., Scheiner, A. C., Lee, T. J., Rice, J. E., & Schaefer, H. F.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1987-03-01
- Volume
- 86
- Issue
- 5
- Pages
- 2881-2890
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1994298443
- Cited by
- 362
- References
- 27
- FWCI
- 7.67
- Type
- journal article
- Language
- en
- Open access
- closed
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- Scuseria, G. E., Scheiner, A. C., Lee, T. J., Rice, J. E., & Schaefer, H. F. (1987). The closed-shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results. The Journal of Chemical Physics. https://doi.org/10.1063/1.452039
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.