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Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne
Abstract
A variational formulation of Brueckner's theory has been used to solve Bethe-Goldstone equations and to compute electronic pair-correlation energies for the atoms listed in the title. One-electron effective correlation energies, needed for open-shell atomic states, are also computed. An approximate Hartree-Fock function is used for the reference state in each case. Individual pair-correlation energies are computed to an expected accuracy of 0.001 Hartree a.u. The total correlation energies range from 98.5 to 100.3% of the empirical correlation energy. For comparison with many-particle perturbation theory, definitions of the hierarchy of $n\mathrm{th}$-order Bethe-Goldstone equations and of the concepts of gross and net mean-value increments used in this work are restated in terms of linked Goldstone diagrams.
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Cited by
Petersson, G. A., Bennett, A., Tensfeldt, T. G., Al-Laham, M. A., Shirley, W. A., & Mantzaris, J. (1988) · The Journal of Chemical Physics · doi:10.1063/1.455064 · Cited by 3,120
Petersson, G. A., & Al-Laham, M. A. (1991) · The Journal of Chemical Physics · doi:10.1063/1.460447 · Cited by 3,098
The full CCSDT model for molecular electronic structure
Noga, J., & Bartlett, R. J. (1987) · The Journal of Chemical Physics · doi:10.1063/1.452353 · Cited by 1,355
Energy extrapolation in CI calculations
Buenker, R. J., & Peyerimhoff, S. D. (1975) · Theoretica Chimica Acta · doi:10.1007/bf00555301 · Cited by 1,008
Werner, H.-J., & Meyer, W. (1976) · Molecular Physics · doi:10.1080/00268977600100651 · Cited by 640
Metadata
- Authors
- Nesbet, R. K.
- Venue
- Physical Review
- Publisher
- American Physical Society (APS)
- Published
- 1968-11-05
- Volume
- 175
- Issue
- 1
- Pages
- 2-9
- ISSN
- 0031-899X (ISSN-L)
- OpenAlex
- W2073593610
- Cited by
- 213
- References
- 0
- FWCI
- 12.03
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne. https://app.cochat.ai/papers/10.1103/physrev.175.2
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- Nesbet, R. K. (1968). Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne. Physical Review. https://doi.org/10.1103/physrev.175.2
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