RSC Advances · 2018 · 26 citations · 55 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryTheoretical ChemistryAb Initio MethodsChemical ThermodynamicsMolecular DynamicsMolecular Orbital TheoryPotential Energy SurfacesReaction PathwaysAb Initio CalculationsAb Initio Potential Energy SurfacesAdiabatic Potential Energy SurfacesAdiabatic StatesDavidson CorrectionDiabatic Potential Energy SurfacesNeural Network DynamicsPotential Energy Surface Construction
The first global diabatic potential energy surfaces for the Be<sup>+</sup>(<sup>2</sup>P) + H<sub>2</sub>(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) → BeH<sup>+</sup>(X<sup>1</sup>Σ<sup>+</sup>) + H(<sup>2</sup>S) reaction are constructed.
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