Stable and metastable states of the Si-5 anion. Theoretical study

Ludwik Adamowicz

doi:10.1016/0009-2614(92)85101-F

Stable and metastable states of the Si^-₅ anion. Theoretical study

Ludwik Adamowicz

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

The Si₅ cluster forms a bitrigonal pyramid. This structure can form some stable and metastable (autodetaching) states with an additional electron, which attaches to the cluster surface. Energies of some of those states are determined based on ab initio calculations with the use of the coupled-cluster method combined with the first-order correlation orbital method. It is found that at least four states, i.e. X²A″₂, ²E′, ²E″ and (2)²E′, lie below the electron ejection threshold.

Original language	English (US)
Pages (from-to)	131-134
Number of pages	4
Journal	Chemical Physics Letters
Volume	188
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(92)85101-F
State	Published - Jan 3 1992

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(92)85101-F

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abstract = "The Si5 cluster forms a bitrigonal pyramid. This structure can form some stable and metastable (autodetaching) states with an additional electron, which attaches to the cluster surface. Energies of some of those states are determined based on ab initio calculations with the use of the coupled-cluster method combined with the first-order correlation orbital method. It is found that at least four states, i.e. X2A″2, 2E′, 2E″ and (2)2E′, lie below the electron ejection threshold.",

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N2 - The Si5 cluster forms a bitrigonal pyramid. This structure can form some stable and metastable (autodetaching) states with an additional electron, which attaches to the cluster surface. Energies of some of those states are determined based on ab initio calculations with the use of the coupled-cluster method combined with the first-order correlation orbital method. It is found that at least four states, i.e. X2A″2, 2E′, 2E″ and (2)2E′, lie below the electron ejection threshold.

AB - The Si5 cluster forms a bitrigonal pyramid. This structure can form some stable and metastable (autodetaching) states with an additional electron, which attaches to the cluster surface. Energies of some of those states are determined based on ab initio calculations with the use of the coupled-cluster method combined with the first-order correlation orbital method. It is found that at least four states, i.e. X2A″2, 2E′, 2E″ and (2)2E′, lie below the electron ejection threshold.

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Stable and metastable states of the Si^-₅ anion. Theoretical study

Abstract

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