Email：zhangy.chen_ATA_sdu._edu._cn (Please remove _ and change ATA to @)
Research Interest:
quantum chemistry method and software package development
Selected publications:
1. Yong Zhang, Wenhua Xu, Qiming Sun, Wenli Zou, Wenjian Liu,* Excited States of OsO4: A Comprehensive Time-Dependent Relativistic Density Functional
Theory Study, J. Comput. Chem. 2010, 31, 532-551
2. Rundong Zhao, Yong Zhang, Yunlong Xiao, and Wenjian Liu,* Exact two-component relativistic energy band theory and application,
J. Chem. Phys. 2016, 144, 044105
3.Junzi Liu, Yong Zhang, Wenjian Liu,* Photoexcitation of Light-Harvesting C-P-C60 Triads: A FLMO-TD-DFT Study, J. Chem. Theory Comput.
2014, 10, 2436-2448
4.Yunlong Xiao, Yong Zhang, Wenjian Liu,* New Experimental NMR Shielding Scales Mapped Relativistically from NSR: Theory and Application,
J. Chem. Theory Comput. 2014, 10, 600-608
5.Yunlong Xiao, Yong Zhang, Wenjian Liu,* Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals,
J. Chem. Phys. 2014, 141, 164110
6.Fangqin Wu, Wenjian Liu,* Yong Zhang, and Zhendong Li, Linear-Scaling Time-Dependent Density Functional Theory Based on the Idea of
“From Fragments to Molecule”, J. Chem. Theory Comput. 2011, 7, 3643-3660
