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Physical Review A

Ground- and excited-rovibrational-state properties of weakly bound helium-silver triatomic molecules

Hiroya Suno

Published Sep 6, 2022• 1 citation
Publisher

Abstract

Ground and excited-rovibrational states of weakly bound triatomic molecules containing two helium and one silver atoms are investigated. We consider three systems, $^{4}\mathrm{He}\text{\ensuremath{-}}^{4}\mathrm{He}\text{\ensuremath{-}}\mathrm{Ag}$, $^{3}\mathrm{He}\text{\ensuremath{-}}^{4}\mathrm{He}\text{\ensuremath{-}}\mathrm{Ag}$, and $^{3}\mathrm{He}\text{\ensuremath{-}}^{3}\mathrm{He}\text{\ensuremath{-}}\mathrm{Ag}$. The three-atom Schr\"odinger equation is solved in hyperspherical coordinates using the potential-energy surface represented as the addition of He-He and He-Ag pair interaction potentials. We compute the energy levels and analyze the structural properties by considering averaged pair distances and bond angles, one-dimensional pair and angle distribution functions, and two-dimensional pair-pair and angle-angle distribution functions. All the He-He-Ag bound states are found to possess similar characteristics, displaying obtuse isosceles ($^{4}\mathrm{He}_{2}\mathrm{Ag}$ and $^{3}\mathrm{He}_{2}\mathrm{Ag}$) or scalene ($^{3}\mathrm{He}^{4}\mathrm{He}\mathrm{Ag}$) triangle configurations where the He-Ag distances are nearly fixed and the Ag bond angle is variable.

DOI
10.1103/physreva.106.032802

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The three-body Schrdinger equation is approximately solved in the hyperspherical coordinates and the binding energies of the three-body weakly bound systems are calculated with the purpose to find if He-He-Ba trimers could exist. Using the special feature of the B-spline function like the flexible and highly localized properties, hypersphercial potentials are obtained by modifying the knots distribution of the B-spline basis of different weakly bound three-atom systems. Employing the best empirical interaction potentials between each pair of particles, we obtain that in the ground state binding energies of the weakly bound typical three-atom systems, the bindings of the molecules, 4He-4He-138Ba, 4He-3He-138Ba and 3He-3He-138Ba are possible. The binding energies of these systems are shown in the order of 1 Kelvin, each system could support only one bound state. These weakly bound molecules can exist only in a very cold environment. To get insight into the geometry of the molecules, the features of the channel functions associated with the hyperspherical potential curves of each system are investigated.
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