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On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods
Abstract
A method is suggested for the calculation of the matrix elements of the logarithm of an operator which gives the exact wavefunction when operating on the wavefunction in the one-electron approximation. The method is based on the use of the creation and annihilation operators, hole—particle formalism, Wick's theorem, and the technique of Feynman-like diagrams. The connection of this method with the configuration-interaction method as well as with the perturbation theory in the quantum-field theoretical form is discussed. The method is applied to the simple models of nitrogen and benzene molecules. The results are compared with those obtained with the configuration-interaction method considering all possible configurations within the chosen basis of one-electron functions.
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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
The theory of variational hybrid quantum-classical algorithms
McClean, J. R., Romero, J., Babbush, R., & Aspuru-Guzik, A. (2016) · New Journal of Physics · doi:10.1088/1367-2630/18/2/023023 · Cited by 2,227
Hampel, C., Peterson, K. A., & Werner, H.-J. (1992) · Chemical Physics Letters · doi:10.1016/0009-2614(92)86093-w · Cited by 1,643
The Variational Quantum Eigensolver: A review of methods and best practices
Tilly, J., Chen, H., Cao, S., Picozzi, D., Setia, K., Li, Y., Grant, E., Wossnig, L., Rungger, I., Booth, G. H., et al. (2022) · Physics Reports · doi:10.1016/j.physrep.2022.08.003 · Cited by 1,031
Coupled-cluster method for multideterminantal reference states
Jeziorski, B., & Monkhorst, H. J. (1981) · Physical Review A · doi:10.1103/physreva.24.1668 · Cited by 873
Metadata
- Authors
- Čížek, J.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1966-12-01
- Volume
- 45
- Issue
- 11
- Pages
- 4256-4266
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2109931506
- Cited by
- 3,074
- References
- 0
- FWCI
- 2.86
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods. https://app.cochat.ai/papers/10.1063/1.1727484
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- Čížek, J. (1966). On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods. The Journal of Chemical Physics. https://doi.org/10.1063/1.1727484
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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