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Scientific Research
Yang Guo
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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Scientific Research
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郭阳. Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). III. Large active space calculations with selected configuration interaction reference. Journal of Chemical Physics, 162, 2025.
郭阳. SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling. Journal of chemical theory and computation, 19, 2024.
郭阳. SparseMaps - A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital. journal physical chemistry, 158, 2024.
Wang, Yuqi. Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules. Journal of chemical theory and computation, 2024.
Wang, Yuqi. Cluster-in-Molecule Method Combined with the Domain-Based Local Pair Natural Orbital Approach for Electron Correlation Calculations of Periodic Systems.. Journal of chemical theory and computation, 18, 6510-6521, 2024.
Chen, Yating. Stacking-dependent tetracolour luminescence and mechanofluorochromic properties of an isoquinoline derivative with aggregation-induced emission. MATERIALS CHEMISTRY FRONTIERS, 6, 459, 2024.
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块相关耦合簇方法和“分子中的簇”局域相关方法的发展, 2025/01/01-2029/12/31
玻璃中发光离子光学性能仿真技术合作项目, 2023/09/07-2025/03/06
强关联体系芯层激发态的多参考态方法, 2022/09/07-2026/12/31
有机反应机理研究, 2021/06/24-2023/04/30
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