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Scientific Research
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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.
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Wang, Yuqi.
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules.
Journal of chemical theory and computation,
2024.
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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.
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Kollmar, Christian.
An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices.
Journal of Chemical Physics,
155,
2024.
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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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郭阳.
SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling.
Journal of chemical theory and computation,
19,
2024.
