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Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?
Abstract
It is shown that the recently proposed QCI method including all single and double substitutions has essentially the same computational requirements as the more complete CCSD approach. If properly formulated, the CCSD equations contain at most quadratic terms in the excitation amplitudes.
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Citations
Cited by
The Magnitude of the CH/π Interaction between Benzene and Some Model Hydrocarbons
Tsuzuki, S., Honda, K., Uchimaru, T., Mikami, M., & Tanabe, K. (2000) · Journal of the American Chemical Society · doi:10.1021/ja993972j · Cited by 537
Tsuzuki, S., Honda, K., Uchimaru, T., Mikami, M., & Tanabe, K. (2000) · Journal of the American Chemical Society · doi:10.1021/ja001901a · Cited by 403
Gleiter, R., Haberhauer, G., Werz, D. B., Rominger, F., & Bleiholder, C. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00449 · Cited by 348
Error analysis and improvements of coupled-cluster theory
Kutzelnigg, W. (1991) · Theoretica Chimica Acta · doi:10.1007/bf01117418 · Cited by 174
Selectivity in ROS-Induced Peptide Backbone Bond Cleavage
Stringfellow, H. M., Jones, M. R., Green, M. C., Wilson, A. K., & Francisco, J. S. (2014) · The Journal of Physical Chemistry A · doi:10.1021/jp508877m · Cited by 28
Metadata
- Authors
- Scuseria, G. E., & Schaefer, H. F.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1989-04-01
- Volume
- 90
- Issue
- 7
- Pages
- 3700-3703
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2010721993
- Cited by
- 1,179
- References
- 0
- FWCI
- 3.64
- Type
- journal article
- Language
- en
- Open access
- closed
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How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
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- CoChat. (2026). Citation check: Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)? https://app.cochat.ai/papers/10.1063/1.455827
- The paper
- Scuseria, G. E., & Schaefer, H. F. (1989). Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)? The Journal of Chemical Physics. https://doi.org/10.1063/1.455827
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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.
