Personal Information
Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Paper Publications
- [1] 闫伯涵. Sublinear scaling method for indirect spin–spin coupling constant calculations at Hartree–Fock and density functional theory level. THE JOURNAL OF CHEMICAL PHYSICS, 2025.
- [2] 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.
- [3] 郭阳. SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling. Journal of chemical theory and computation, 19, 2023.
- [4] 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, 2023.
- [5] Wang, Yuqi. Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules. Journal of chemical theory and computation, 2023.
- [6] 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, 2022.
- [7] Chen, Yating. Stacking-dependent tetracolour luminescence and mechanofluorochromic properties of an isoquinoline derivative with aggregation-induced emission. MATERIALS CHEMISTRY FRONTIERS, 6, 459, 2022.
- [8] Kollmar, Christian. An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices. Journal of Chemical Physics, 155, 2021.
- [9] 宋阳阳. The Static-Dynamic-Static Family of Methods for Strongly Correlated Electrons: Methodology and Benchmarking. TOPICS IN CURRENT CHEMISTRY, 379, 2021.
- [10] 郭阳. iCISCF: An Iterative Configuration Interaction-Based Multiconfigurational Self-Consistent Field Theory for Large Active Spaces.. Journal of chemical theory and computation, 17, 7545-7561, 2021.