The DOI matches its Crossref record; 13 of the 13 references it cites were found in a registry or an index.
A linear response, coupled-cluster theory for excitation energy
Abstract
Expressions for static and dynamic properties in coupled-cluster (CC) theory are derived. In the static case, using diagrammatic techniques, it is shown how consideration of orbital relaxation effects in the theory introduces higher-order correlation effects. For the dynamic case, excitation energy expressions are obtained without consideration of orbital relaxation effects and shown to be equivalent to an equation of motion (EOM) approach subject to a coupled-cluster ground-state wave function and an excitation operator consisting of single and double excitations. Illustrative applications for excited states of ethylene are reported.
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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
Self-citationDunning, T. H. (1970) · The Journal of Chemical Physics · doi:10.1063/1.1674408 · Cited by 5,032
Čížek, J. (1966) · The Journal of Chemical Physics · doi:10.1063/1.1727484 · Cited by 3,074
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
Self-citationShort-range correlations in nuclear wave functions
Coester, F., & Kümmel, H. (1960) · Nuclear Physics · doi:10.1016/0029-5582(60)90140-1 · Cited by 1,255
Bound states of a many-particle system
Coester, F. (1958) · Nuclear Physics · doi:10.1016/0029-5582(58)90280-3 · Cited by 1,106
Cluster expansion of the wavefunction. Excited states
Nakatsuji, N. (1978) · Chemical Physics Letters · doi:10.1016/0009-2614(78)89113-1 · Cited by 653
Nakatsuji, H. (1979) · Chemical Physics Letters · doi:10.1016/0009-2614(79)85172-6 · Cited by 610
Some aspects of the time-dependent coupled-cluster approach to dynamic response functions
Dalgaard, E., & Monkhorst, H. J. (1983) · Physical Review A · doi:10.1103/physreva.28.1217 · Cited by 406
Mukherjee, D., & Mukherjee, P. K. (1979) · Chemical Physics · doi:10.1016/0301-0104(79)80153-6 · Cited by 366
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-citationRecent developments in the P y SCF program package
Sun, Q., Zhang, X., Banerjee, S., Bao, P., Barbry, M., Blunt, N. S., Bogdanov, N. A., Booth, G. H., Chen, J., Cui, Z.-H., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0006074 · Cited by 1,259
The equation-of-motion coupled-cluster method: Excitation energies of Be and CO
Geertsen, J., Rittby, M., & Bartlett, R. J. (1989) · Chemical Physics Letters · doi:10.1016/0009-2614(89)85202-9 · Cited by 668
Self-citationStanton, J. F., & Gauss, J. (1994) · The Journal of Chemical Physics · doi:10.1063/1.468022 · Cited by 608
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
Metadata
- Authors
- Sekino, H., & Bartlett, R. J.
- Venue
- International Journal of Quantum Chemistry
- Publisher
- Wiley
- Published
- 1984-03-01
- Volume
- 26
- Issue
- S18
- Pages
- 255-265
- ISSN
- 0020-7608 (ISSN-L)
- 1097-461X
- OpenAlex
- W2028974637
- Cited by
- 710
- References
- 13
- FWCI
- 5.80
- Type
- journal article
- Language
- en
- Open access
- closed
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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.
