On the long-range and short-range behavior of potentials from reproducing kernel Hilbert space interpolation

Soldán, Pavel; Hutson, Jeremy M.

doi:10.1063/1.480988

Cited by 79 publications

(64 citation statements)

References 12 publications

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“…In this calculation, we neglected the R dependence of the spin-orbit Hamiltonian. The resulting points for all four curves were inter-and extrapolated using the reproducing kernel Hilbert space method [41][42][43], with the C 6 , C 8 , and C 10 dispersion coefficients constrained to match the scaled values of Ref. [44].…”

Section: Interaction Potentialsmentioning

confidence: 99%

Sympathetic cooling of fluorine atoms with ultracold atomic hydrogen

González-Martínez

Hutson²

2013

Phys. Rev. A

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The full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. We consider the prospect of using ultracold hydrogen atoms for sympathetic cooling of fluorine atoms to microkelvin temperatures. We carry out quantum-mechanical calculations on collisions between cold F and H atoms in magnetically trappable states and show that the ratio of elastic to inelastic cross sections remains high across a wide range of temperatures and magnetic fields. For F atoms initially in the spin-stretched state ( 2 P 3/2 , f = m f = +2), sympathetic cooling appears likely to succeed from starting temperatures around 1 K or even higher. This occurs because inelastic collisions are suppressed by p-wave and d-wave barriers that are 600 mK and 3.2 K high, respectively. In combination with recent results on H + NH and H + OH collisions [M. L. González-Martínez and J. M. Hutson, Phys. Rev. Lett. 111, 203004 (2013)], this establishes ultracold H atoms as a very promising and versatile coolant for atoms and molecules that cannot be laser-cooled.

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Section: Interaction Potentialsmentioning

confidence: 99%

Sympathetic cooling of fluorine atoms with ultracold atomic hydrogen

González-Martínez

Hutson²

2013

Phys. Rev. A

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“…We have used the reciprocal-power reproducing kernel Hilbert space method (RP-RKHS) [75,76]. With an appropriate choice of parameters [77], this gives a potential that has the correct C 6 and C 8 dispersion coefficients.…”

Section: Global Potential Energy Surfacesmentioning

confidence: 99%

Molecular collisions in ultracold atomic gases

Hutson

Soldán

2007

International Reviews in Physical Chemistry

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It has recently become possible to form molecules in ultracold gases of trapped alkali metal atoms. Once formed, the molecules may undergo elastic, inelastic and reactive collisions. Inelastic and reactive collisions are particularly important because they release kinetic energy and eject atoms and molecules from the trap. The theory needed to handle such collisions is presented and recent quantum dynamics calculations on ultracold atom-diatom collisions of spin-polarised Li + Li2, Na + Na2 and K + K2 are described. All these systems have potential energy surfaces on which barrierless atom exchange reactions can occur, and both inelastic and reactive rates are very fast (typically k inel > 10 −10 cm 3 s −1 in the Wigner regime).

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“…The values of C q 6 (θ) and C q 7 (θ) were fixed at the values described in the previous subsection [52,53].…”

Section: Converting Mrci Total Energies To Interaction Energiesmentioning

confidence: 99%

Cold collisions between OH and Rb: The field-free case

et al. 2007

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We have calculated elastic and state-resolved inelastic cross sections for cold and ultracold collisions in the Rb( 1 S) + OH( 2 Π 3/2 ) system, including fine-structure and hyperfine effects. We have developed a new set of five potential energy surfaces for Rb-OH( 2 Π) from high-level ab initio electronic structure calculations, which exhibit conical intersections between covalent and ion-pair states. The surfaces are transformed to a quasidiabatic representation. The collision problem is expanded in a set of channels suitable for handling the system in the presence of electric and/or magnetic fields, although we consider the zero-field limit in this work. Because of the large number of scattering channels involved, we propose and make use of suitable approximations. To account for the hyperfine structure of both collision partners in the short-range region we develop a frame-transformation procedure which includes most of the hyperfine Hamiltonian. Scattering cross sections on the order of 10 −13 cm 2 are predicted for temperatures typical of Stark decelerators. We also conclude that spin orientation of the partners is completely disrupted during the collision. Implications for both sympathetic cooling of OH molecules in an environment of ultracold Rb atoms and experimental observability of the collisions are discussed.

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On the long-range and short-range behavior of potentials from reproducing kernel Hilbert space interpolation

Cited by 79 publications

References 12 publications

Sympathetic cooling of fluorine atoms with ultracold atomic hydrogen

Sympathetic cooling of fluorine atoms with ultracold atomic hydrogen

Molecular collisions in ultracold atomic gases

Cold collisions between OH and Rb: The field-free case

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