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New analytic form for the potential energy curves of stable diatomic states
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1974
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Spectral TheoryDiatomic MoleculesEngineeringStable Diatomic StatesChemistryAnalytic PotentialStable StatesSpectra-structure CorrelationPotential TheoryMolecular SpectroscopyBiophysicsPhysicsNew Analytic FormPhysical ChemistryMolecular MechanicQuantum ChemistryMolecular ChemistryNatural SciencesPotential Energy CurvesHamiltonian SystemChemical Thermodynamics
An analytic potential for stable states of diatomic molecules is proposed V=–De(1 +a1r+a2r2+a3r3)e–a1r. The constants a1, a2 and a3 are obtained from the harmonic, cubic and quartic force constants. The potential is shown to be superior to the Hulburt–Hirschfelder potential when tested on a least-squares basis against the spectroscopic RKR potential.