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Xiang Yuan
Xiang Yuan
Université de Lille, Vrije Universiteit Amsterdam
Dirección de correo verificada de univ-lille.fr
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Laser cooling of the SiO+ molecular ion: A theoretical contribution
R Li, X Yuan, G Liang, Y Wu, J Wang, B Yan
Chemical Physics 525, 110412, 2019
222019
Laser cooling of thallium chloride: A theoretical investigation
X Yuan, S Yin, Y Shen, Y Liu, Y Lian, HF Xu, B Yan
The Journal of chemical physics 149 (9), 2018
202018
Laser-cooling with an intermediate electronic state: Theoretical prediction on bismuth hydride
X Yuan, HJ Guo, YM Wang, JL Xue, HF Xu, B Yan
The Journal of Chemical Physics 150 (22), 224305, 2019
162019
Multireference configuration interaction study on the ground and excited electronic states of the AlO+ molecule
P Yan, X Yuan, S Yin, X Liu, H Xu, B Yan
Computational and Theoretical Chemistry 1117, 258-265, 2017
102017
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
X Yuan, L Visscher, ASP Gomes
The Journal of Chemical Physics 156 (22), 2022
92022
Theoretical study on predissociation of B3Σu− of sulfur dimer
J Xue, X Yuan, R Li, X Liu, H Xu, B Yan
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 241, 118679, 2020
82020
Final-state-resolved mutual neutralization in - collisions
M Poline, X Yuan, S Badin, M Ji, S Rosén, S Indrajith, RD Thomas, ...
Physical Review A 106 (1), 012812, 2022
72022
Electronic structure and spectroscopy of the low-lying electronic states of thallium fluoride: MRCI+ Q study including spin-orbit coupling
Y Liu, X Yuan, L Xiao, H Xu, B Yan
Journal of Quantitative Spectroscopy and Radiative Transfer 243, 106817, 2020
62020
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
X Yuan, L Halbert, JV Pototschnig, A Papadopoulos, S Coriani, L Visscher, ...
Journal of Chemical Theory and Computation 20 (2), 677-694, 2024
42024
Spectroscopic constants and spin-orbit coupling in the low-lying electronic states of AsBr
Y Wang, X Yuan, Y Liu, H Xu, B Yan
Journal of Quantitative Spectroscopy and Radiative Transfer 251, 107049, 2020
42020
Exploring the structure and photodissociation mechanism of the electronic states of iodocarbene, CHI: a theoretical contribution
S Shan, P Yan, X Zhang, S Yin, X Yuan, H Xu, B Yan
Physical Chemistry Chemical Physics 19 (27), 17735-17744, 2017
42017
Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations
X Yuan, AS Pereira Gomes
The Journal of Chemical Physics 157 (7), 2022
32022
The configuration interaction study on the low-lying electronic states of AsF
H Guo, Y Wang, X Yuan, Y Liu, B Yan
Journal of Quantitative Spectroscopy and Radiative Transfer 252, 107102, 2020
22020
Spin-orbit coupling in low-lying electronic states of mercury hydride
S Yin, X Yuan, Y Liu, H Xu, B Yan
Journal of Quantitative Spectroscopy and Radiative Transfer 229, 120-129, 2019
22019
Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
X Yuan, L Halbert, L Visscher, AS Pereira Gomes
Journal of chemical theory and computation 19 (24), 9248-9259, 2023
12023
Theoretical study of the mutual neutralization reaction
S Badin, X Yuan, PL Bourgeois, ASP Gomes, N Sisourat
Physical Review A 107 (2), 022808, 2023
12023
Molecular properties in the linear response regime and beyond with relativistic coupled-cluster
X Yuan
2024
A spectroscopic investigation of the lowest electronic states of the I2+ cation as a candidate for detecting the time variation of fundamental constants
Y Zhao, Y Tian, X He, T Gong, X Sun, G Guo, X Qiu, X Yuan, J Liu, L Deng, ...
Journal of Molecular Spectroscopy 399, 111873, 2024
2024
Etude théorique de la réaction de neutralisation I+-I
S Badin, X Yuan, PL Bourgeois, A Severo Pereira Gomes, N Sisourat
Phys Rev A 107, 022808, 2023
2023
Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element species
L Halbert, X Yuan, F Réal, V Vallet, A Severo Pereira Gomes
2022
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