title: The van der Waals interactions in rare-gas dimers: the role of interparticle interactions.
abstract: We investigate the potential energy curves of rare-gas dimers with various ranges and strengths of interparticle interactions (nuclear-electron, electron-electron, and nuclear-nuclear interactions). Our investigation is based on the highly accurate coupled-cluster theory associated with those interparticle interactions. For comparison, the performances of the corresponding Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and density functional theory are also investigated. Our results reveal that when the interparticle interactions retain the long-range Coulomb tails, the nature of van der Waals interactions in the rare-gas dimers remains similar. By contrast, when the interparticle interactions are sufficiently short-range, the conventional van der Waals interactions in the rare-gas dimers completely disappear, yielding purely repulsive potential energy curves.
authors.affiliation: Department of Physics, National Taiwan University, Taipei 10617, Taiwan. jdchai@phys.ntu.edu.tw.
authors.forename: Yu-Ting
authors.initials: YT
authors.lastname: Chen
authors.affiliation: Department of Physics, National Taiwan University, Taipei 10617, Taiwan. jdchai@phys.ntu.edu.tw.
authors.forename: Kerwin
authors.initials: K
authors.lastname: Hui
authors.affiliation: Department of Physics, National Taiwan University, Taipei 10617, Taiwan. jdchai@phys.ntu.edu.tw and Center for Theoretical Sciences and Center for Quantum Science and Engineering, National Taiwan University, Taipei 10617, Taiwan.
authors.forename: Jeng-Da
authors.initials: JD
authors.lastname: Chai