Theoretical study on ten Λ–S states of anion: Potential energy curves, spectroscopy and spin–orbit couplings

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.095 ◽

2013 ◽

Vol 108 ◽

pp. 295-306 ◽

Author(s):

Hui Liu ◽

Deheng Shi ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Potential Energy Curves ◽

Download Full-text

Theoretical study on thirteen Λ-S states of the SiN radical: potential energy curves, spectroscopic parameters and spin-orbit couplings

The European Physical Journal D ◽

10.1140/epjd/e2013-40030-9 ◽

2013 ◽

Vol 67 (11) ◽

Author(s):

Wei Xing ◽

Deheng Shi ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Potential Energy Curves ◽

Spectroscopic Parameters ◽

Download Full-text

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 ◽

Download Full-text

Accurate calculations of the 18 Λ-S states and 50 Ω states of PO+ cation: potential energy curves and spectroscopic parameters including the spin-orbit coupling effect

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 ◽

Spectroscopic Parameters ◽

Download Full-text

Theoretical study of LuH molecule: Potential energy curves, spectroscopic constants and spin-orbit couplings

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2018.02.008 ◽

2018 ◽

Vol 1128 ◽

pp. 31-41 ◽

Author(s):

Joumana Assaf ◽

F. El Haj Hassan ◽

É.C.M. Nascimento ◽

Amine Haydar

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Potential Energy Curves ◽

Spectroscopic Constants ◽

Download Full-text

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 ◽

Author(s):

Deheng Shi ◽

Xianghong Niu ◽

Jinfeng Sun ◽

Zunlue Zhu

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Orbit Coupling ◽

Potential Energy Curves ◽

Spin Orbit Coupling ◽

Spectroscopic Parameters

Download Full-text

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 ◽

Spectroscopic Parameters ◽

Download Full-text

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 ◽

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 ◽

Spectroscopic Parameters

Download Full-text

Computational notes on the theoretical study on the potential energy curves for X1Σ+, A1П and I1Σ− states of CO molecule

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.07.003 ◽

2008 ◽

Vol 866 (1-3) ◽

pp. 79-80 ◽

Author(s):

Guo-liang Xu ◽

Wen-jing Lv ◽

Yu-fang Liu ◽

Zun-lue Zhu ◽

Xian-zhou Zhang ◽

...

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Potential Energy Curves

Download Full-text

The theoretical study on the potential energy curves for X 1 Σ + , A 1 Π and C 1 Σ - states of SiO molecule

Chinese Physics B ◽

10.1088/1674-1056/17/12/025 ◽

2008 ◽

Vol 17 (12) ◽

pp. 4481-4484 ◽

Author(s):

Xu Guo-Liang ◽

Lä Wen-Jing ◽

Liu Yu-Fang ◽

Zhu Zun-Lue ◽

Zhang Xian-Zhou ◽

...

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Potential Energy Curves

Download Full-text

Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/39/20/c02 ◽

2006 ◽

Vol 39 (20) ◽

pp. 4341-4341

Author(s):

Wissem Zrafi, Brahim Oujia and Flor Gadea

Keyword(s):

Potential Energy ◽

Theoretical Study ◽

Dipole Moments ◽

Potential Energy Curves

Download Full-text