Scientific Research

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Paper Publications

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• Electronic structure calculations of low-lying electronic states of O3 .PHYSICAL CHEMISTRY CHEMICAL PHYSICS .2011 :卷: 13 期: 7 页: 2723-2731
• CaSH分子高精度电子结构计算及用于激光制冷目标分子的理论研究 .物理学报 .2024 ,73 :023301
• 基于空穴-粒子对偶的内收缩多参考态二级微扰理论 .中国科学化学 .2015 :45/12/1337-1344
• Finite field calculation of the polarizabilities and hyperpolarizabilities of Al+ .Phys. Rev. A .2013 :88/052518
• Finite-field calculation of static polarizabilities and hyperpolarizabilities of In + and Sr .Phys. Rev. A .2015 :92/052515
• All-Metal Aromatic Sandwich Binuclear Complexes: Electronic Structures, Aromaticity and Interactions with Hydrogen via Multicenter Bonds .CHEMISTRYSELECT .2017 :卷: 2 期: 22 页: 6206-6211

Patents

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Published Books

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Research Projects

• 基于多参考态组态相互作用的自旋－轨道耦合计算方法和程序实现 , 2016-01-01
• 基于局域分子轨道的高效多组态自洽场方法及程序 , 2012-01-01
• 新一代相对论电子结构理论、方法与程序 , 2010-01-01