Supervisor of Doctorate Candidates
Supervisor of Master's Candidates
School/Department:现代物理研究所
Business Address:物理楼802室
Alma Mater:南开大学
Discipline:Atomic and Molecular Physics
Theoretical Physics
Condensed Matter Physics
Academic Honor:
Honors and Titles:
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Home>>Research Focus
High-precision simulation of excited states and UV-Vis spectra of small molecules
High-precision simulation of excited states and UV-Vis spectra of small molecules.
[1]Wenli Zouand Wenjian Liu,Comprehensive theoretical studies on the low-lying electronic states of NiF, NiCl, NiBr, and NiI,J. Chem. Phys.124, 154312 (2006).
[2]Wenli Zouand Wenjian Liu,Theoretical study on the low-lying electronic states of NiH and NiAt,J. Comput. Chem.28, 2286 (2007).
[3]Wenli Zouand Wenjian Liu,Comprehensive ab initio calculation and simulation on the low-lying electronic states of TlX (X = F, Cl, Br, I, and At),J. Comput. Chem.30, 524 (2009).
[4]Wenli Zouand James E. Boggs,Theoretical study of the electronic states of CuCl2,J. Chem. Phys.130, 154313 (2009).
[5]J. C. Harms, K. A. Womack, L. C. O’Brien, andW. Zou,Analysis of New MoO Transition in the Near-IR: A Combined Theoretical and Experimental Study,J. Chem. Phys.141, 134310 (2014).
[6]W. Zouand B. Suo,Theoretical Study of Low-Lying Electronic States of PtX (X = F, Cl, Br, and I) including Spin-Orbit Coupling,J. Phys. Chem. A, 120, 6357-6370 (2016).
[7] K. Shen, B. Suo, andW. Zou,Theoretical Study of Low-Lying Ω Electronic States of PtH and PtH+,J. Phys. Chem. A121, 3699-3707 (2017).
[8] K. F. Ng,W. Zou, W. Liu, and A. S.-C. Cheung,Electronic Transitions of Tantalum Monofluoride,J. Chem. Phys.146, 094308 (2017).
[9] Bingbing Suo, Yongqin Lian,Wenli Zou, and Yibo Lei,The Electronic Structure of OsSi Calculated by MS-NEVPT2 with Inclusion of the Relativistic Effects,J. Phys. Chem. A, 122, 5333-5341 (2018).
[10] L.F. Tsang, Man-Chor Chan,Wenli Zou, A.S.-C. Cheung,Electronic transitions of tungsten monosulfide,J. Mol. Spectrosc.359, 31-36 (2019).
[11] L. C. O'Brien, J. C. Harms, J. J. O'Brien,W. Zou,Analysis of the A Ω=1 - X3Σ‒0+transition of PtS observed by intracavity laser spectroscopy with fourier transform detection (ILS-FTS), and computational studies of electronic states of PtS,J. Mol. Struct.1211, 128024 (2020).
