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Adiabatic potential energies for NaK+, NaRb+, NaCs+, KRb+, KCs+, RbCs+, Na+2, K2+, Rb+2, and Cs+2 molecular ions
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Citations
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References
1978
Year
EngineeringComputational ChemistryChemistryIon ProcessElectron PhysicSolid-state IonicPhysicsAtomic PhysicsPhysical ChemistryAlkali AtomsQuantum ChemistryAb-initio MethodAlkali IonNatural SciencesAlkali Molecular IonsAdiabatic Potential EnergiesCs+2 Molecular IonsIon StructureMany-body Problem
By using Hellmann-type model potentials for alkali atoms, the many-electron problem of the alkali molecular ions is reduced to a three-body problem. The Σ adiabatic potential curves have been calculated for ground and excited states of diatomic molecules formed from an alkali atom (Na, K, Rb, Cs) and an alkali ion (Na+, K+, Rb+, Cs+). All the ions turn out to be stable, and the energies we obtain are believed to be reliable within a few hundredths of an electron volt.
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