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Equivalence of the deformed modified Rosen–Morse potential energy model and the Tietz potential energy model
43
Citations
30
References
2013
Year
EngineeringMolecular BiologyIntegrable SystemDissociation EnergyHamiltonian TheoryEquilibrium Bond LengthPotential TheoryGlobal AnalysisMolecular SimulationBiophysicsPhysicsPhysical ChemistryMolecular MechanicQuantum ChemistryMolecular ChemistryMolecular ModelingNatural SciencesHamiltonian SystemChemical ThermodynamicsN2 Molecule
By applying the dissociation energy and the equilibrium bond length for a diatomic molecule as explicit parameters, we generate an improved expression for the deformed modified Rosen–Morse potential energy model. It is found that the deformed modified Rosen–Morse potential model and the well-known Tietz potential model are the same empirical potential function for diatomic molecules. In terms of the energy spectrum expression of the deformed modified Rosen–Morse potential model, we obtain exact closed-form expressions for diatomic anharmonicity constants ωe xe and ωe ye . The anharmonicity constants for the X1Σ+g state of the N2 molecule have been computed and compared with the observed data.
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