The DOI matches its Crossref record; 43 of the 43 references it cites were found in a registry or an index.
Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons
Abstract
The similarity transformed equation-of-motion coupled-cluster (STEOM-CC) method is presented in full detail. Comparisons are made with the Fock space coupled-cluster (FSCC) method and the equation-of-motion coupled-cluster (EOM-CC) scheme. The role of implicit triple excitations and, relatedly, charge transfer separability in STEOM is discussed. The dependence on the choice of active space in STEOM is addressed and criteria for the selection of the active space are given. The evaluation of properties within STEOM is outlined and a large number of illustrative examples of STEOM is presented.
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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-citationMethods of Electronic Structure Theory
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Self-citationDunning, T. H. (1971) · The Journal of Chemical Physics · doi:10.1063/1.1676139 · Cited by 2,191
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Coupled cluster response functions
Koch, H., & Jo/rgensen, P. (1990) · The Journal of Chemical Physics · doi:10.1063/1.458814 · Cited by 1,134
A linear response, coupled-cluster theory for excitation energy
Sekino, H., & Bartlett, R. J. (1984) · International Journal of Quantum Chemistry · doi:10.1002/qua.560260826 · Cited by 710
Self-citationThe equation-of-motion coupled-cluster method: Excitation energies of Be and CO
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Self-citationEquation of motion coupled cluster method for electron attachment
Nooijen, M., & Bartlett, R. J. (1995) · The Journal of Chemical Physics · doi:10.1063/1.468592 · Cited by 618
Self-citationStanton, J. F., & Gauss, J. (1994) · The Journal of Chemical Physics · doi:10.1063/1.468022 · Cited by 608
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-citationKrylov, A. I. (2008) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.59.032607.093602 · Cited by 1,042
Kowalski, K., & Piecuch, P. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1378323 · Cited by 306
A Critical Assessment of Coupled Cluster Method in Quantum Chemistry
Paldus, J., & Li, X. (1999) · Advances in Chemical Physics · doi:10.1002/9780470141694.ch1 · Cited by 282
New perspectives in multireference perturbation theory: the n-electron valence state approach
Angeli, C., Pastore, M., & Cimiraglia, R. (2007) · Theoretical Chemistry Accounts · doi:10.1007/s00214-006-0207-0 · Cited by 281
Metadata
- Authors
- Nooijen, M., & Bartlett, R. J.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1997-11-01
- Volume
- 107
- Issue
- 17
- Pages
- 6812-6830
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2086836197
- Cited by
- 368
- References
- 43
- FWCI
- 6.27
- Type
- journal article
- Language
- en
- Open access
- closed
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