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Ionic dimers in He droplets: interaction potentials for Li-2(+)-He,Na-2(+)-He, and K-2(+)-He and stability of the smaller clusters

Koc University Digital Collections · Papers
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ab-initioapplied-physicsphysical-chemistry
We present post Hartree-Fock calculations of the potential energy surfaces (PESs) for the ground electronic states of the three alkali dimer ions Li-2(+), Na-2(+), and K-2(+) interacting with neutral helium. The calculations were carried out for the frozen molecular equilibrium geometries and for an
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