We investigate the potential energy curves of rare-gas dimers with variousranges and strengths of interparticle interactions (nuclear-electron,electron-electron, and nuclear-nuclear interactions). Our investigation isbased on the highly accurate coupled-cluster theory associated with thoseinterparticle interactions. For comparison, the performance of thecorresponding Hartree-Fock theory, second-order Moller-Plesset perturbationtheory, and density functional theory is also investigated. Our results revealthat when the interparticle interactions retain the long-range Coulomb tails,the nature of van der Waals interactions in the rare-gas dimers remainssimilar. By contrast, when the interparticle interactions are sufficientlyshort-range, the conventional van der Waals interactions in the rare-gas dimerscompletely disappear, yielding purely repulsive potential energy curves.
展开▼
