Full dimension Rb2He ground triplet potential energy surface and quantum scattering calculations

Grégoire Guillon (1) , Alexandra Viel (1) , Jean-Michel Launay (1)

1 IPR - Institut de Physique de Rennes

We have developed a three-dimensional potential energy surface for the lowest triplet state of the Rb2He complex. A global analytic fit is provided as in the supplementary material [see supplementary material at http://dx.doi.org/10.1063/1.4709433E-JCPSA6-136-034218 for the corresponding Fortran code]. This surface is used to perform quantum scattering calculations of 4He and 3He colliding with 87Rb2 in the partial wave J = 0 at low and ultralow energies. For the heavier helium isotope, the computed vibrational relaxation probabilities show a broad and strong shape resonance for a collisional energy of 0.15 K and a narrow Feshbach resonance at about 17 K for all initial Rb2 vibrational states studied. The broad resonance corresponds to an efficient relaxation mechanism that does not occur when 3He is the colliding partner. The Feshbach resonance observed at higher collisional energy is robust with respect to the isotopic substitution. However, its effect on the vibrational relaxation mechanism is faint for both isotopes.

Mots clés: Quantum dynamics; Molecular physics; Cold and ultra-cold collisions; Rubidium; Potential energy surfaces; Atomic and molecular collisions

Domaines: Physique [physics]; Physique Quantique [quant-ph]; Chimie-Physique [physics.chem-ph]; Gaz Quantiques [cond-mat.quant-gas]

Grégoire Guillon, Alexandra Viel, Jean-Michel Launay. Full dimension Rb2He ground triplet potential energy surface and quantum scattering calculations. Journal of Chemical Physics, 2012, 136 (17), pp.174307. ⟨10.1063/1.4709433⟩. ⟨hal-00909240⟩