EOM-CCSD-Based Neural Network Diabatic Potential Energy Matrix for (1)pi sigma*- Mediated Photodissociation of Thiophenol-MedSci.cn

EOM-CCSD-Based Neural Network Diabatic Potential Energy Matrix for (1)pi sigma*- Mediated Photodissociation of Thiophenol

Hou, ST; Li, CF; Han, HX; Xie, CJ

Xie, CJ (通讯作者)，Northwest Univ, Inst Modern Phys, Shaanxi Key Lab Theoret Phys Frontiers, Xian 710127, Peoples R China.;Han, HX (通讯作者)，Northwest Univ, Sch Phys, Xian 710127, Peoples R China.

CHINESE JOURNAL OF CHEMICAL PHYSICS, 2022; 35 (3): 461

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