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Journal Abstract Search

154 related items for PubMed ID: 31176323

  • 1. Neural network based quasi-diabatic Hamiltonians with symmetry adaptation and a correct description of conical intersections.
    Guan Y, Guo H, Yarkony DR.
    J Chem Phys; 2019 Jun 07; 150(21):214101. PubMed ID: 31176323
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  • 7. On the representation of coupled adiabatic potential energy surfaces using quasi-diabatic Hamiltonians: a distributed origins expansion approach.
    Zhu X, Yarkony DR.
    J Chem Phys; 2012 May 07; 136(17):174110. PubMed ID: 22583213
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  • 10. Enabling a Unified Description of Both Internal Conversion and Intersystem Crossing in Formaldehyde: A Global Coupled Quasi-Diabatic Hamiltonian for Its S0, S1, and T1 States.
    Guan Y, Xie C, Guo H, Yarkony DR.
    J Chem Theory Comput; 2021 Jul 13; 17(7):4157-4168. PubMed ID: 34132545
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  • 11. Enabling complete multichannel nonadiabatic dynamics: A global representation of the two-channel coupled, 1,21A and 13A states of NH3 using neural networks.
    Wang Y, Guan Y, Guo H, Yarkony DR.
    J Chem Phys; 2021 Mar 07; 154(9):094121. PubMed ID: 33685133
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  • 12. Constructing Diabatic Potential Energy Matrices with Neural Networks Based on Adiabatic Energies and Physical Considerations: Toward Quantum Dynamic Accuracy.
    Li C, Hou S, Xie C.
    J Chem Theory Comput; 2023 Jun 13; 19(11):3063-3079. PubMed ID: 37216273
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  • 16. A diabatization method based upon integrating the diabatic potential gradient difference.
    Li F, Liu X, Ma H, Bian W.
    Phys Chem Chem Phys; 2024 Jun 12; 26(23):16477-16487. PubMed ID: 38656815
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  • 17. Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems.
    Williams DMG, Eisfeld W.
    J Phys Chem A; 2020 Sep 17; 124(37):7608-7621. PubMed ID: 32786968
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  • 18. On the nonadiabatic collisional quenching of OH(A) by H2: a four coupled quasi-diabatic state description.
    Malbon CL, Zhao B, Guo H, Yarkony DR.
    Phys Chem Chem Phys; 2020 Jun 24; 22(24):13516-13527. PubMed ID: 32538422
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