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152 related items for PubMed ID: 28063454

  • 1. Calcium-hydrogen interactions for collisional excitation and charge transfer.
    Mitrushchenkov A, Guitou M, Belyaev AK, Yakovleva SA, Spielfiedel A, Feautrier N.
    J Chem Phys; 2017 Jan 07; 146(1):014304. PubMed ID: 28063454
    [Abstract] [Full Text] [Related]

  • 2. Ab initio adiabatic and diabatic energies and dipole moments of the CaH+ molecular ion.
    Habli H, Dardouri R, Oujia B, Gadéa FX.
    J Phys Chem A; 2011 Dec 08; 115(48):14045-53. PubMed ID: 22013968
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  • 3. Structural and spectroscopic study of the LiRb molecule beyond the Born-Oppenheimer approximation.
    Jendoubi I, Berriche H, Ben Ouada H, Gadea FX.
    J Phys Chem A; 2012 Mar 22; 116(11):2945-60. PubMed ID: 22360282
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  • 5. Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster.
    Kumar Paul A, Sardar S, Sarkar B, Adhikari S.
    J Chem Phys; 2009 Sep 28; 131(12):124312. PubMed ID: 19791886
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  • 6. An ab initio diabatic study of rovibronic spectra of CN.
    Zhang S, Qin Z, Liu L.
    Phys Chem Chem Phys; 2024 Jun 19; 26(24):16998-17010. PubMed ID: 38835203
    [Abstract] [Full Text] [Related]

  • 7. Inelastic excitation and charge transfer processes for oxygen in collision with H atoms.
    Mitrushchenkov A, Guitou M, Belyaev AK, Voronov YV, Feautrier N.
    J Chem Phys; 2019 Feb 14; 150(6):064312. PubMed ID: 30770013
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  • 8. Constructing diabatic representations using adiabatic and approximate diabatic data--Coping with diabolical singularities.
    Zhu X, Yarkony DR.
    J Chem Phys; 2016 Jan 28; 144(4):044104. PubMed ID: 26827199
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  • 11. Numerical Equivalence of Diabatic and Adiabatic Representations in Diatomic Molecules.
    Brady RP, Drury C, Yurchenko SN, Tennyson J.
    J Chem Theory Comput; 2024 Mar 12; 20(5):2127-2139. PubMed ID: 38171539
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  • 14. Theoretical study of the CsNa molecule: adiabatic and diabatic potential energy and dipole moment.
    Mabrouk N, Berriche H.
    J Phys Chem A; 2014 Sep 25; 118(38):8828-41. PubMed ID: 25058020
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  • 17. Quasi-diabatic representations of adiabatic potential energy surfaces coupled by conical intersections including bond breaking: a more general construction procedure and an analysis of the diabatic representation.
    Zhu X, Yarkony DR.
    J Chem Phys; 2012 Dec 14; 137(22):22A511. PubMed ID: 23249048
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  • 19. 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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  • 20. 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
    [Abstract] [Full Text] [Related]

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