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Ab initio quantum dynamics with very weak van der Waals interactions: structure and stability of small Li-2((1)Sigma(+)(g))-(He)(n) clusters

Koc University Digital Collections · Papers
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atomschemistrymoleculesphysicsspectroscopy
The potential energy surface (PES) for the interaction between Li-2((1)Sigma(g)(+)) and He-4 has been computed using an accurate, post-Hartree-Fock quantum calculation for its ground electronic state. The orientational anisotropy of the forces and the interplay between repulsive and attractive effec
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