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Success of quantum mechanical approximations for molecular geometries and electron-nuclear attraction expectation values: Gift of the Coulomb potential? J. Chem. Phys. 84, 4519 (1986); 10.1063/1.450024 Interpolated values of spectroscopic constants of asymmetric alkali molecules and molecular ions J. Chem. Phys. 62, 4753 (1975); 10.1063/1.430424Expectation values of the kinetic and potential energy of a diatomic molecule By using Hellman-type model potentials for alkali atoms, the many-electron problem of the alkali molecular ions is reduced to a three-body problem, and the ground state energy of the these ions calculated in the familiar Rayleigh-Ritz variational treatment. All the ions result as being stable. Other physical quantities (equilibrium and mean distances, etc.) are. also calculated. The reported data may be useful in a· variety of scattering problems, such as, for instance, alkali atom-ion collisions. They support the James' suggestion that the dissociation energies of the alkali molecular ions must be greater than those of the corresponding molecules, due to the greater diffuseness of the bonding wavefunctions. Application of the present approach to alkali hydride ions seems to indicate that these ions are not stable. The limitations of the pseudopotential approach for molecular calculations are discussed, and it is concluded that the approach is of simpler use for alkali molecular ions than for the corresponding molecules. Cs 3.88 1.6721. 0.3331. aReference 27. bReference 28.

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