Constructing diabatic potential energy matrices with neural networks based on adiabatic energies and physical considerations: Toward quantum dynamic accuracy C Li, S Hou, C Xie Journal of Chemical Theory and Computation 19 (11), 3063-3079, 2023 | 14 | 2023 |
Three-dimensional diabatic potential energy surfaces of thiophenol with neural networks C Li, S Hou, C Xie Chinese Journal of Chemical Physics 34 (6), 825-832, 2021 | 10 | 2021 |
Nonadiabatic heavy atom tunneling in 1 nσ*-mediated photodissociation of thioanisole C Li, S Hou, Z Wang, C Xie Physical Chemistry Chemical Physics 25 (28), 18797-18807, 2023 | 2 | 2023 |
Accurate description of the nonadiabatic proton-coupled electron-transfer process in a diabatic representation: A model study H Song, C Li, C Xie Physical Review A 105 (2), 022822, 2022 | 2 | 2022 |
EOM-CCSD-based neural network diabatic potential energy matrix for 1πσ*-mediated photodissociation of thiophenol S Hou, C Li, H Han, C Xie Chinese Journal of Chemical Physics 35 (3), 461-470, 2022 | 1 | 2022 |
EOM-CCSD-Based Neural Network Diabatic Potential Energy Matrix for\begin {document} \end {document}\begin {document} \end {document}\begin {document … S Hou, C Li, H Han, C Xie Chinese Journal of Chemical Physics 35 (3), 461-470, 2022 | | 2022 |
Dynamic Simulation on Surface Hydration and Dehydration of Monoclinic Zirconia YG Wang 化学物理学报, 0 | | |