Potential Energy Curves, Spectroscopic Parameters, and Spin–Orbit Coupling: A Theoretical Study on 24 Λ-S and 54 Ω States of C2+ Cation

Deheng Shi; Xianghong Niu; Jinfeng Sun; Zunlue Zhu

doi:10.1021/jp312670v

Potential Energy Curves, Spectroscopic Parameters, and Spin–Orbit Coupling: A Theoretical Study on 24 Λ-S and 54 Ω States of C2+ Cation

The Journal of Physical Chemistry A ◽

10.1021/jp312670v ◽

2013 ◽

Vol 117 (9) ◽

pp. 2020-2034 ◽

Cited By ~ 15

Author(s):

Deheng Shi ◽

Xianghong Niu ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters

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Accurate theoretical study on 18 Λ-S and 50 Ω states of CS in the gas phase: Potential energy curves, spectroscopic parameters, and spin-orbit coupling

The Journal of Chemical Physics ◽

10.1063/1.4813794 ◽

2013 ◽

Vol 139 (4) ◽

pp. 044306 ◽

Cited By ~ 8

Author(s):

Deheng Shi ◽

Xianghong Niu ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Gas Phase ◽

Theoretical Study ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters

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The European Physical Journal D ◽

10.1140/epjd/e2014-50221-5 ◽

2014 ◽

Vol 68 (10) ◽

Author(s):

Zunlue Zhu ◽

Chuncai Cheng ◽

Shuai Wang ◽

Deheng Shi

Keyword(s):

Potential Energy ◽

Coupling Effect ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters ◽

S States

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Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.11.098 ◽

2014 ◽

Vol 122 ◽

pp. 571-581 ◽

Cited By ~ 2

Author(s):

Deheng Shi ◽

Qionglan Liu ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters

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Potential energy curves, spectroscopic constants and spin-orbit coupling: A theoretical study on twelve triplet Λ-S states of Ge2 molecule

The European Physical Journal D ◽

10.1140/epjd/e2013-30569-8 ◽

2013 ◽

Vol 67 (2) ◽

Author(s):

Hui Liu ◽

Deheng Shi ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spectroscopic Constants ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

S States

Download Full-text

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Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.01.003 ◽

2014 ◽

Vol 124 ◽

pp. 216-229 ◽

Cited By ~ 5

Author(s):

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Deheng Shi ◽

Jinfeng Sun ◽

Zunlue Zhu ◽

Zhang Shulin

Keyword(s):

Potential Energy ◽

Electronic States ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters

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Journal of Quantitative Spectroscopy and Radiative Transfer ◽

10.1016/j.jqsrt.2013.09.016 ◽

2014 ◽

Vol 133 ◽

pp. 526-537 ◽

Cited By ~ 2

Author(s):

Deheng Shi ◽

Xianghong Niu ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Gas Phase ◽

Theoretical Calculations ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters

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The European Physical Journal D ◽

10.1140/epjd/e2014-40411-6 ◽

2014 ◽

Vol 68 (5) ◽

Cited By ~ 1

Author(s):

De-Heng Shi ◽

Qionglan Liu ◽

Wei Yu ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Electronic States ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters

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Potential energy curves and spectroscopic parameters of the 24 Λ-S states and 54 Ω states of the F2 + cation including the spin-orbit coupling effect*

The European Physical Journal D ◽

10.1140/epjd/e2016-70388-9 ◽

2016 ◽

Vol 70 (11) ◽

Author(s):

Hui Liu ◽

Deheng Shi ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Coupling Effect ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters ◽

S States

Download Full-text

Calculations of 21 Λ-S and 42 Ω states of BC molecule: Potential energy curves, spectroscopic parameters and spin-orbit coupling effect

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.10.006 ◽

2016 ◽

Vol 153 ◽

pp. 722-734 ◽

Cited By ~ 7

Author(s):

Wei Xing ◽

Deheng Shi ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Coupling Effect ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spectroscopic Parameters

Download Full-text

M + Ng potential energy curves including spin-orbit coupling for M = K, Rb, Cs and Ng = He, Ne, Ar

The Journal of Chemical Physics ◽

10.1063/1.3696377 ◽

2012 ◽

Vol 136 (12) ◽

pp. 124315 ◽

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L Blank ◽

David E. Weeks ◽

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Keyword(s):

Potential Energy ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spin Orbit

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