Ab initio study of the feasibility of laser cooling of ScO molecule
Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in g...
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| Autor*in: |
Yang, Quan-Shun [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2016 |
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| Rechteinformationen: |
Nutzungsrecht: © 2016 Taylor & Francis 2016 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Molecular physics - London : Taylor & Francis, 1958, 114(2016), 6, Seite 870 |
|---|---|
| Übergeordnetes Werk: |
volume:114 ; year:2016 ; number:6 ; pages:870 |
| Links: |
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| DOI / URN: |
10.1080/00268976.2015.1129461 |
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| 520 | |a Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. | ||
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10.1080/00268976.2015.1129461 doi PQ20160430 (DE-627)OLC1972928724 (DE-599)GBVOLC1972928724 (PRQ)i1081-42596a1ae8a10769a883efe8a753097b68354edcbafe704c58ba498147fd75650 (KEY)0082863720160000114000600870abinitiostudyofthefeasibilityoflasercoolingofscomo DE-627 ger DE-627 rakwb eng 570 530 DNB Yang, Quan-Shun verfasserin aut Ab initio study of the feasibility of laser cooling of ScO molecule 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. Nutzungsrecht: © 2016 Taylor & Francis 2016 radiative lifetime Franck-Condon factors Laser cooling Cooling Lasers Gao, Yu-Feng oth Yu, You oth Gao, Tao oth Enthalten in Molecular physics London : Taylor & Francis, 1958 114(2016), 6, Seite 870 (DE-627)129602140 (DE-600)241517-3 (DE-576)015095878 0026-8976 nnns volume:114 year:2016 number:6 pages:870 http://dx.doi.org/10.1080/00268976.2015.1129461 Volltext http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1129461 http://search.proquest.com/docview/1772286624 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA GBV_ILN_59 GBV_ILN_70 AR 114 2016 6 870 |
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10.1080/00268976.2015.1129461 doi PQ20160430 (DE-627)OLC1972928724 (DE-599)GBVOLC1972928724 (PRQ)i1081-42596a1ae8a10769a883efe8a753097b68354edcbafe704c58ba498147fd75650 (KEY)0082863720160000114000600870abinitiostudyofthefeasibilityoflasercoolingofscomo DE-627 ger DE-627 rakwb eng 570 530 DNB Yang, Quan-Shun verfasserin aut Ab initio study of the feasibility of laser cooling of ScO molecule 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. Nutzungsrecht: © 2016 Taylor & Francis 2016 radiative lifetime Franck-Condon factors Laser cooling Cooling Lasers Gao, Yu-Feng oth Yu, You oth Gao, Tao oth Enthalten in Molecular physics London : Taylor & Francis, 1958 114(2016), 6, Seite 870 (DE-627)129602140 (DE-600)241517-3 (DE-576)015095878 0026-8976 nnns volume:114 year:2016 number:6 pages:870 http://dx.doi.org/10.1080/00268976.2015.1129461 Volltext http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1129461 http://search.proquest.com/docview/1772286624 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA GBV_ILN_59 GBV_ILN_70 AR 114 2016 6 870 |
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10.1080/00268976.2015.1129461 doi PQ20160430 (DE-627)OLC1972928724 (DE-599)GBVOLC1972928724 (PRQ)i1081-42596a1ae8a10769a883efe8a753097b68354edcbafe704c58ba498147fd75650 (KEY)0082863720160000114000600870abinitiostudyofthefeasibilityoflasercoolingofscomo DE-627 ger DE-627 rakwb eng 570 530 DNB Yang, Quan-Shun verfasserin aut Ab initio study of the feasibility of laser cooling of ScO molecule 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. Nutzungsrecht: © 2016 Taylor & Francis 2016 radiative lifetime Franck-Condon factors Laser cooling Cooling Lasers Gao, Yu-Feng oth Yu, You oth Gao, Tao oth Enthalten in Molecular physics London : Taylor & Francis, 1958 114(2016), 6, Seite 870 (DE-627)129602140 (DE-600)241517-3 (DE-576)015095878 0026-8976 nnns volume:114 year:2016 number:6 pages:870 http://dx.doi.org/10.1080/00268976.2015.1129461 Volltext http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1129461 http://search.proquest.com/docview/1772286624 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA GBV_ILN_59 GBV_ILN_70 AR 114 2016 6 870 |
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10.1080/00268976.2015.1129461 doi PQ20160430 (DE-627)OLC1972928724 (DE-599)GBVOLC1972928724 (PRQ)i1081-42596a1ae8a10769a883efe8a753097b68354edcbafe704c58ba498147fd75650 (KEY)0082863720160000114000600870abinitiostudyofthefeasibilityoflasercoolingofscomo DE-627 ger DE-627 rakwb eng 570 530 DNB Yang, Quan-Shun verfasserin aut Ab initio study of the feasibility of laser cooling of ScO molecule 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. Nutzungsrecht: © 2016 Taylor & Francis 2016 radiative lifetime Franck-Condon factors Laser cooling Cooling Lasers Gao, Yu-Feng oth Yu, You oth Gao, Tao oth Enthalten in Molecular physics London : Taylor & Francis, 1958 114(2016), 6, Seite 870 (DE-627)129602140 (DE-600)241517-3 (DE-576)015095878 0026-8976 nnns volume:114 year:2016 number:6 pages:870 http://dx.doi.org/10.1080/00268976.2015.1129461 Volltext http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1129461 http://search.proquest.com/docview/1772286624 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA GBV_ILN_59 GBV_ILN_70 AR 114 2016 6 870 |
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10.1080/00268976.2015.1129461 doi PQ20160430 (DE-627)OLC1972928724 (DE-599)GBVOLC1972928724 (PRQ)i1081-42596a1ae8a10769a883efe8a753097b68354edcbafe704c58ba498147fd75650 (KEY)0082863720160000114000600870abinitiostudyofthefeasibilityoflasercoolingofscomo DE-627 ger DE-627 rakwb eng 570 530 DNB Yang, Quan-Shun verfasserin aut Ab initio study of the feasibility of laser cooling of ScO molecule 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. Nutzungsrecht: © 2016 Taylor & Francis 2016 radiative lifetime Franck-Condon factors Laser cooling Cooling Lasers Gao, Yu-Feng oth Yu, You oth Gao, Tao oth Enthalten in Molecular physics London : Taylor & Francis, 1958 114(2016), 6, Seite 870 (DE-627)129602140 (DE-600)241517-3 (DE-576)015095878 0026-8976 nnns volume:114 year:2016 number:6 pages:870 http://dx.doi.org/10.1080/00268976.2015.1129461 Volltext http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1129461 http://search.proquest.com/docview/1772286624 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-PHA GBV_ILN_59 GBV_ILN_70 AR 114 2016 6 870 |
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Yang, Quan-Shun |
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Yang, Quan-Shun |
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ab initio study of the feasibility of laser cooling of sco molecule |
| title_auth |
Ab initio study of the feasibility of laser cooling of ScO molecule |
| abstract |
Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. |
| abstractGer |
Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. |
| abstract_unstemmed |
Using ab initio quantum chemistry method, the feasibility of laser cooling ScO was investigated. The ground state Χ 2 Σ + and low-lying excited states Α 2 Π, Α′ 2 Δ are calculated at the multi-reference configuration interaction (MRCI) level of theory. The calculated spectroscopic constants are in good agreement with available theoretical and experimental results. At the MRCI level of theory with Davidson correction, the permanent dipole moments of the Χ 2 Σ + and Α 2 Π states of ScO are also calculated. The highly diagonally distributed Franck-Condon factors and shorter radiative lifetime for the Α 2 Π→Χ 2 Σ + transition are calculated with the corresponding potential energy curves and transition dipole moment. Although there is an intermediate state Α′ 2 Δ, the loss will be dominated by branching to the intermediate electronic state Α′ 2 Δ at a level of η < 1.4 × 10 −4 . These results demonstrate the probability of laser cooling of ScO, and we provide a promising laser-cooling scheme for ScO molecule. |
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| title_short |
Ab initio study of the feasibility of laser cooling of ScO molecule |
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http://dx.doi.org/10.1080/00268976.2015.1129461 http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1129461 http://search.proquest.com/docview/1772286624 |
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Gao, Yu-Feng Yu, You Gao, Tao |
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