Theoretical study of the spectroscopy and radiative transition probabilities of Si<sub>2</sub> from visible to infrared-Reference-Cited by-同舟云学术

Theoretical study of the spectroscopy and radiative transition probabilities of Si₂ from visible to infrared

Published:2023 Issue:41 Volume:25 Page:28350-28362
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Xiao Lidan¹^ORCID,Yang Yun¹,Li Xinyu¹,Minaev Boris F.²³^ORCID,Yan Bing¹^ORCID

Affiliation:

1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China

2. Department of Chemistry and Nanomaterials Science, Bohdan Khmelnytsky National University, Cherkasy, Ukraine

3. Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden

Abstract

High level ab initio calculations on the electronic states of a silicon dimer (Si2) have been carried out by employing a multi-reference configuration interaction plus Davidson correction (MRCI + Q) approach with the aug-cc-pVQZ basis set.

Funder

National Natural Science Foundation of China

Ministry of Education and Science of Ukraine

Wenner-Gren Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02512H

Reference43 articles.

1. Molecules in Stars

2. Discovery of Interstellar Silicon Monoxide

3. Das Mikrowellenrotationsspekrum des SiS

4. Astonomical and laboratory detection of the SiC radical

5. Detection of SiN in IRC + 10216

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