代表性科研及实践成果介绍
国家自然科学基金青年项目，计算重元素双电离与双电子亲和的非迭代三激发校正运动方程耦合簇方法与程序，2023.01.01-2025.12.31，30万，在研，主持。 陕西省教育厅专项科研计划项目，六卤化铀体系低电子态光谱性质的耦合簇近似方法研究，2022.01.01-2023.12.31，2万，在研，主持。 Guilin Shen, Minggang Guo, Zhifan Wang, and Fan Wang, Effects of ligands on excitation energies of [UO2X4]2- and UO2X2 (X=F, Cl) with the equation-of-motion coupled-cluster theory. International Journal of Quantum Chemistry, 2022, e26981. Minggang Guo, Zhifan Wang, Yanzhao Lu, and Fan Wang, Energy correction and analytic energy gradients due to triples in CCSD(T) with spin-orbit coupling on graphic processing units using single-precision data. Molecular Physics, 2021, 119(21-22), e1974591. Minggang Guo, Zhifan Wang, and Fan Wang, Stationary points on potential energy surface of cyclic C3H3 using coupled-cluster approach and density functional theory. The Journal of Physical Chemistry A, 2021, 125(19), 4079-4088. Minggang Guo, Zhifan Wang, and Fan Wang, Equation-of-motion coupled-cluster theory for double electron attachment with spin-orbit coupling, The Journal Chemical Physics, 2020, 153, 214118. Minggang Guo, Zhifan Wang, and Fan Wang, Treating spin-orbit coupling at different levels in equation-of-motion coupled-cluster calculations, Molecular Physics, 2020, 118(19-20), e1785029.
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