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Ground-state correlation energies for two- to ten-electron atomic ions
Abstract
Improved estimates of the nonrelativistic stationary nucleus correlation energies of the ground-state atomic ions with three to ten electrons and Z up to 20 are derived by combining experimental data and improved ab initio calculations. Unlike previous work in this area, we focus on the correlation contribution to individual ionization energies, computed by comparing experimental data with relativistic complete-valence-space Hartree-Fock energies.
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Cited by
The performance of a family of density functional methods
Johnson, B. G., Gill, P. M. W., & Pople, J. A. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464906 · Cited by 1,924
Nonlocal van der Waals density functional: The simpler the better
Vydrov, O. A., & Van Voorhis, T. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3521275 · Cited by 1,312
The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets
Gill, P. M. W., Johnson, B. G., Pople, J. A., & Frisch, M. J. (1992) · Chemical Physics Letters · doi:10.1016/0009-2614(92)85807-m · Cited by 1,018
Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional
Perdew, J. P., Tao, J., Staroverov, V. N., & Scuseria, G. E. (2004) · The Journal of Chemical Physics · doi:10.1063/1.1665298 · Cited by 567
Bubin, S., Pavanello, M., Tung, W.-C., Sharkey, K. L., & Adamowicz, L. (2013) · Chemical Reviews · doi:10.1021/cr200419d · Cited by 175
Metadata
- Authors
- Davidson, E. R., Hagstrom, S. A., Chakravorty, S. J., Umar, V. M., & Fischer, C. F.
- Venue
- Physical Review A
- Publisher
- American Physical Society (APS)
- Published
- 1991-12-01
- Volume
- 44
- Issue
- 11
- Pages
- 7071-7083
- ISSN
- 0556-2791 (ISSN-L)
- 1050-2947
- 1094-1622
- OpenAlex
- W1971366228
- Cited by
- 388
- References
- 0
- FWCI
- 5.94
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Ground-state correlation energies for two- to ten-electron atomic ions. https://app.cochat.ai/papers/10.1103/physreva.44.7071
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- Davidson, E. R., Hagstrom, S. A., Chakravorty, S. J., Umar, V. M., & Fischer, C. F. (1991). Ground-state correlation energies for two- to ten-electron atomic ions. Physical Review A. https://doi.org/10.1103/physreva.44.7071
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