西北大学主页平台管理系统 Changjian Xie--Home--Paper Publications

Changjian Xie

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88. Siting Hou, Zhimo Wang, Changjian Xie*, “Accurate and Efficient Schemes for Mapping Out Two Isolated Seams of Conical Intersections with Neural Networks Solely Based on Adiabatic Energies: A Case Study of H+ + NO(X2Π) → H + NO+(X1Σ+)”, J. Phys. Chem. A 128, 7046–7054 (2024)
87. Zhen Xu, Siting Hou, Zhimo Wang, Changjian Xie*, “Neural network potentials facilitating accurate complex scaling for molecular resonances: from a model to high dimensional realistic systems”, Phys. Chem. Chem. Phys. 26, 21861-21873 (2024)
86. Feng Xiong, Siting Hou, Jiayuan Li, Zhimo Wang, Changjian Xie*, “Computational determination of the S1(Ã1A″) absorption spectra of HONO and DONO using full-dimensional neural network potential energy surfaces”, J. Chem. Phys. 161, 014305 (2024)
85. Zhimo Wang, Siting Hou, Hong Gao, Changjian Xie*, “Quantum state-to-state nonadiabatic dynamics of the charge transfer reaction H+ + NO(X2Π) → H + NO+(X1Σ+): Influence of ro-vibrational excitation of NO”, J. Chem. Phys. 160, 064301 (2024)
84. Junyan Wang, Changjian Xie*, XiXi Hu*, Hua Guo*, Daiqian Xie*, “Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O2 → OH + O”, J. Phys. Chem. Lett. 15, 4237–4243 (2024)
83. Shanyu Han, Changjian Xie, Xixi Hu, David R. Yarkony, Hua Guo, and Daiqian Xie*, “Quantum Dynamics of Photodissociation: Recent Advances and Challenges”, J. Phys. Chem. Lett. 14, 10517–10530 (2023)
82. Siting Hou, Zhimo Wang, and Changjian Xie*, “Full-dimensional potential energy surface for the photodissociation of HNCO via its S1 band”, Phys. Chem. Chem. Phys. 25, 29556–29565 (2023)
81. Zhimo Wang, Siting Hou, and Changjian Xie*, “Nonadiabatic quantum dynamics of the charge transfer reaction H+ + NO(X2Π) → H + NO+(X1Σ+)”, Phys. Chem. Chem. Phys. 25, 23808-23818 (2023)
80. Yafu Guan*, Changjian Xie*, Hua Guo*, and David R. Yarkony*, “Toward a Unified Analytical Description of Internal Conversion and Intersystem Crossing in the Photodissociation of Thioformaldehyde. I. Diabatic Singlet States”, J. Chem. Theory Comput. 19, 6414-6424 (2023)
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)
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)
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)

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88. Siting Hou, Zhimo Wang, Changjian Xie*, “Accurate and Efficient Schemes for Mapping Out Two Isolated Seams of Conical Intersections with Neural Networks Solely Based on Adiabatic Energies: A Case Study of H+ + NO(X2Π) → H + NO+(X1Σ+)”, J. Phys. Chem. A 128, 7046–7054 (2024)

87. Zhen Xu, Siting Hou, Zhimo Wang, Changjian Xie*, “Neural network potentials facilitating accurate complex scaling for molecular resonances: from a model to high dimensional realistic systems”, Phys. Chem. Chem. Phys. 26, 21861-21873 (2024)

86. Feng Xiong, Siting Hou, Jiayuan Li, Zhimo Wang, Changjian Xie*, “Computational determination of the S1(Ã1A″) absorption spectra of HONO and DONO using full-dimensional neural network potential energy surfaces”, J. Chem. Phys. 161, 014305 (2024)

85. Zhimo Wang, Siting Hou, Hong Gao, Changjian Xie*, “Quantum state-to-state nonadiabatic dynamics of the charge transfer reaction H+ + NO(X2Π) → H + NO+(X1Σ+): Influence of ro-vibrational excitation of NO”, J. Chem. Phys. 160, 064301 (2024)

84. Junyan Wang, Changjian Xie, XiXi Hu, Hua Guo, Daiqian Xie, “Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O2 → OH + O”, J. Phys. Chem. Lett. 15, 4237–4243 (2024)

83. Shanyu Han, Changjian Xie, Xixi Hu, David R. Yarkony, Hua Guo, and Daiqian Xie*, “Quantum Dynamics of Photodissociation: Recent Advances and Challenges”, J. Phys. Chem. Lett. 14, 10517–10530 (2023)

82. Siting Hou, Zhimo Wang, and Changjian Xie*, “Full-dimensional potential energy surface for the photodissociation of HNCO via its S1 band”, Phys. Chem. Chem. Phys. 25, 29556–29565 (2023)

81. Zhimo Wang, Siting Hou, and Changjian Xie*, “Nonadiabatic quantum dynamics of the charge transfer reaction H+ + NO(X2Π) → H + NO+(X1Σ+)”, Phys. Chem. Chem. Phys. 25, 23808-23818 (2023)

80. Yafu Guan, Changjian Xie, Hua Guo, and David R. Yarkony, “Toward a Unified Analytical Description of Internal Conversion and Intersystem Crossing in the Photodissociation of Thioformaldehyde. I. Diabatic Singlet States”, J. Chem. Theory Comput. 19, 6414-6424 (2023)

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)

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)

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88. Siting Hou, Zhimo Wang, Changjian Xie*, “Accurate and Efficient Schemes for Mapping Out Two Isolated Seams of Conical Intersections with Neural Networks Solely Based on Adiabatic Energies: A Case Study of H+ + NO(X2Π) → H + NO+(X1Σ+)”, J. Phys. Chem. A 128, 7046–7054 (2024)

87. Zhen Xu, Siting Hou, Zhimo Wang, Changjian Xie*, “Neural network potentials facilitating accurate complex scaling for molecular resonances: from a model to high dimensional realistic systems”, Phys. Chem. Chem. Phys. 26, 21861-21873 (2024)

86. Feng Xiong, Siting Hou, Jiayuan Li, Zhimo Wang, Changjian Xie*, “Computational determination of the S1(Ã1A″) absorption spectra of HONO and DONO using full-dimensional neural network potential energy surfaces”, J. Chem. Phys. 161, 014305 (2024)

85. Zhimo Wang, Siting Hou, Hong Gao, Changjian Xie*, “Quantum state-to-state nonadiabatic dynamics of the charge transfer reaction H+ + NO(X2Π) → H + NO+(X1Σ+): Influence of ro-vibrational excitation of NO”, J. Chem. Phys. 160, 064301 (2024)

84. Junyan Wang, Changjian Xie*, XiXi Hu*, Hua Guo*, Daiqian Xie*, “Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O2 → OH + O”, J. Phys. Chem. Lett. 15, 4237–4243 (2024)

83. Shanyu Han, Changjian Xie, Xixi Hu, David R. Yarkony, Hua Guo, and Daiqian Xie*, “Quantum Dynamics of Photodissociation: Recent Advances and Challenges”, J. Phys. Chem. Lett. 14, 10517–10530 (2023)

82. Siting Hou, Zhimo Wang, and Changjian Xie*, “Full-dimensional potential energy surface for the photodissociation of HNCO via its S1 band”, Phys. Chem. Chem. Phys. 25, 29556–29565 (2023)

81. Zhimo Wang, Siting Hou, and Changjian Xie*, “Nonadiabatic quantum dynamics of the charge transfer reaction H+ + NO(X2Π) → H + NO+(X1Σ+)”, Phys. Chem. Chem. Phys. 25, 23808-23818 (2023)

80. Yafu Guan*, Changjian Xie*, Hua Guo*, and David R. Yarkony*, “Toward a Unified Analytical Description of Internal Conversion and Intersystem Crossing in the Photodissociation of Thioformaldehyde. I. Diabatic Singlet States”, J. Chem. Theory Comput. 19, 6414-6424 (2023)

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)

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)

84. Junyan Wang, Changjian Xie, XiXi Hu, Hua Guo, Daiqian Xie, “Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O2 → OH + O”, J. Phys. Chem. Lett. 15, 4237–4243 (2024)

80. Yafu Guan, Changjian Xie, Hua Guo, and David R. Yarkony, “Toward a Unified Analytical Description of Internal Conversion and Intersystem Crossing in the Photodissociation of Thioformaldehyde. I. Diabatic Singlet States”, J. Chem. Theory Comput. 19, 6414-6424 (2023)

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)