DOI: 10.1063/1.459738. Electronic structures of the negative ions Si−2 –Si−10: Electron affinities of small silicon clusters

Electronic structures of the negative ions Si−2 –Si−10: Electron affinities of small silicon clusters

10.1063/1.459738

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Accurate ab initio calculations have been performed to investigate the structures and energies of the negative ions of Si2–Si10. The effects of polarization functions, diffuse functions, and electron correlation have been included in these calculations. In most cases, there is a good correspondence between the ground state structures of the negative ions and those of the corresponding neutral species. Adiabatic electron affinities are computed and compared with recent experimental measurements. Si3, Si5, Si8, and Si9 are found to have electron affinities which are larger than their neighbors. This result is interpreted using our previous calculations on the low-lying states of the corresponding neutral species.

Bibliography

Raghavachari, K., & McMichael Rohlfing, C. (1991). Electronic structures of the negative ions Siâ2 âSiâ10: Electron affinities of small silicon clusters. The Journal of Chemical Physics, 94(5), 3670â3678.

Authors 2

Krishnan Raghavachari (first)
Celeste McMichael Rohlfing (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:20 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 5:31 p.m.)
Indexed	1 year ago (Aug. 2, 2024, 8:34 a.m.)
Issued	34 years, 5 months ago (March 1, 1991)
Published	34 years, 5 months ago (March 1, 1991)
Published Print	34 years, 5 months ago (March 1, 1991)

Funders 0

None

BibTeX

@article{Raghavachari_1991, title={Electronic structures of the negative ions Si−2 –Si−10: Electron affinities of small silicon clusters}, volume={94}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.459738}, DOI={10.1063/1.459738}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Raghavachari, Krishnan and McMichael Rohlfing, Celeste}, year={1991}, month=mar, pages={3670–3678} }

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