The DOI matches its Crossref record.
A coupled cluster approach with triple excitations
Abstract
The coupled-cluster model for electron correlation is generalized to include the effects of connected triple excitation contributions. The detailed equations for triple excitation amplitudes are presented, and a simplified version implemented that retains the dominant terms. The model presented, CCSDT-1, provides the energy correct through fourth order and the wave function through second order. The CCSDT-1 model is illustrated by comparing with full CI results for HF, BH, and H2O, the latter at several geometries.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
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
Self-citationThe Configuration Interaction Method: Advances in Highly Correlated Approaches
David Sherrill, C., & Schaefer, H. F. (1999) · Advances in Quantum Chemistry · doi:10.1016/s0065-3276(08)60532-8 · Cited by 447
Kowalski, K., & Piecuch, P. (2000) · The Journal of Chemical Physics · doi:10.1063/1.481769 · Cited by 440
Use of Cluster Expansion Methods in the Open-Shell Correlation Problem
Mukherjee, D., & Pal, S. (1989) · Advances in Quantum Chemistry · doi:10.1016/s0065-3276(08)60629-2 · Cited by 403
Discrepancy between experimental and theoretical β-decay rates resolved from first principles
Gysbers, P., Hagen, G., Holt, J. D., Jansen, G. R., Morris, T. D., Navrátil, P., Papenbrock, T., Quaglioni, S., Schwenk, A., Stroberg, S. R., et al. (2019) · Nature Physics · doi:10.1038/s41567-019-0450-7 · Cited by 348
Metadata
- Authors
- Lee, Y. S., Kucharski, S. A., & Bartlett, R. J.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1984-12-20
- Volume
- 81
- Issue
- 12
- Pages
- 5906-5912
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1972352258
- Cited by
- 520
- References
- 0
- FWCI
- 9.49
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: A coupled cluster approach with triple excitations. https://app.cochat.ai/papers/10.1063/1.447591
- The paper
- Lee, Y. S., Kucharski, S. A., & Bartlett, R. J. (1984). A coupled cluster approach with triple excitations. The Journal of Chemical Physics. https://doi.org/10.1063/1.447591
Data sources
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.
