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

The Journal of Chemical Physics
Grégoire GuillonJean-Michel Launay

Abstract

We have developed a three-dimensional potential energy surface for the lowest triplet state of the Rb(2)He complex. A global analytic fit is provided as in the supplementary material [see supplementary material at http://dx.doi.org/10.1063/1.4709433 for the corresponding Fortran code]. This surface is used to perform quantum scattering calculations of (4)He and (3)He colliding with (87)Rb(2) 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 Rb(2) vibrational states studied. The broad resonance corresponds to an efficient relaxation mechanism that does not occur when (3)He 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.

References

Feb 1, 1994·Physical Review. a·M MarinescuA Dalgarno
Feb 1, 1996·Physical Review. a·A J MoerdijkB J Verhaar
Sep 30, 1996·Physical Review Letters·P O FedichevG V Shlyapnikov
Oct 6, 2000·Physical Review Letters·C GabbaniniM Mazzoni
Oct 9, 2002·Physical Review Letters·Pavel SoldánJean-Michel Launay
Jan 7, 2003·Physical Review Letters·A MarteB J Verhaar
Aug 23, 2003·Science·Jens HerbigRudolf Grimm
Nov 15, 2003·Science·S JochimR Grimm
Feb 3, 2004·Physical Review Letters·C P SchulzF Stienkemeier
Jun 8, 2007·The Journal of Physical Chemistry. a·Gerald AuböckWolfgang E Ernst
Jul 14, 1995·Science·M H AndersonE A Cornell
Oct 15, 2008·Physical Review Letters·F LangJ Hecker Denschlag
Feb 9, 2010·The Journal of Chemical Physics·G AuböckW E Ernst
Jun 25, 2010·The Journal of Chemical Physics·Pavel Soldán
Mar 12, 2011·Physical Chemistry Chemical Physics : PCCP·B GrünerM Mudrich
Mar 26, 2011·The Journal of Physical Chemistry. a·Grégroire GuillonRobert E Zillich
Apr 21, 2011·The Journal of Physical Chemistry. a·Moritz TheisenWolfgang E Ernst
Sep 13, 2011·Journal of Chemical Theory and Computation·Edward G HohensteinC David Sherrill

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Citations

May 3, 2015·The Journal of Chemical Physics·Rocío Rodríguez-CantanoJulius Jellinek
Oct 6, 2018·Physical Chemistry Chemical Physics : PCCP·Marc BriantLionel Poisson
Jul 3, 2017·The Journal of Chemical Physics·Andrea SimoniJean-Michel Launay
May 21, 2014·The Journal of Physical Chemistry. a·Alexandra Viel, Jean-Michel Launay

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Software Mentioned

MOLCOL
RbHe
MOLPRO

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