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Atomic Screening Constants from SCF Functions
Abstract
The self-consistent-field function for atoms with 2 to 36 electrons are computed with a minimal basis set of Slater-type orbitals. The orbital exponent of the atomic orbitals are optimized as to ensure the energy minimum. The analysis of the optimized orbital exponents allows us to obtain simple and accurate rules for the 1s, 2s, 3s, 4s, 2p, 3p, 4p, and 3d electronic screening constants. These rules are compared with those proposed by Slater and reveal the need of accounting for the screening due to the outside electrons. The analysis of the screening constants (and orbital exponents) is extended to the excited states of the groundstate configuration and to the positive ions.
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Citations
Cited by
Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons
Clementi, E., Raimondi, D. L., & Reinhardt, W. P. (1967) · The Journal of Chemical Physics · doi:10.1063/1.1712084 · Cited by 1,544
Self-citationStraggling in thin silicon detectors
Bichsel, H. (1988) · Reviews of Modern Physics · doi:10.1103/revmodphys.60.663 · Cited by 402
Kouba, J. E., & öhrn, Y. (1970) · The Journal of Chemical Physics · doi:10.1063/1.1673861 · Cited by 56
Metadata
- Authors
- Clementi, E., & Raimondi, D. L.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1963-06-01
- Volume
- 38
- Issue
- 11
- Pages
- 2686-2689
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2033086110
- Cited by
- 2,441
- References
- 0
- FWCI
- 14.15
- Type
- journal article
- Language
- en
- Open access
- closed
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- Clementi, E., & Raimondi, D. L. (1963). Atomic Screening Constants from SCF Functions. The Journal of Chemical Physics. https://doi.org/10.1063/1.1733573
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