78. Chaofan Li, Siting Hou, Changjian Xie*, “Constructing Diabatic Potential Energy Matrices with Neural Networks Based on Adiabatic Energies and Physical Considerations: Toward Quantum Dynamic Accuracy”, J. Chem. Theory Comput. 19, 3063 (2023)
Release time:2023-09-06 Hits:
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Pre One:79. Zhe Hou, Siting Hou, Changjian Xie*, Huixian Han*, “Simulating the HeI photoelectron spectrum of Cl2O with new full-dimensional adiabatic potential energy surfaces of Cl2O(X ̃1A1), Cl2O+(X ̃2B1), and Cl2O+(C ̃2A2) and three-state diabatic potential energy matrix of Cl2O+(A ̃2B2, B ̃2A1, and 22A1): a quantum mechanical study”, Phys. Chem. Chem. Phys. 25, 18775 (2023)
Next One:77. Chaofan Li, Siting Hou, Zhimo Wang, Changjian Xie*, “Nonadiabatic heavy atom tunneling in 1nσ*-mediated photodissociation of thioanisole”, Phys. Chem. Chem. Phys. 25, 18797 (2023)
