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Cold collisions of an open-shell S-state atom with a (2)Pi molecule : N(S-4) colliding with OH in a magnetic field

Skomorowski, Wojciech; Gonzalez-Martinez, Maykel L.; Moszynski, Robert; Hutson, Jeremy M.

Cold collisions of an open-shell S-state atom with a (2)Pi molecule : N(S-4) colliding with OH in a magnetic field Thumbnail


Authors

Wojciech Skomorowski

Maykel L. Gonzalez-Martinez

Robert Moszynski



Abstract

We present quantum-theoretical studies of collisions between an open-shell S-state atom and a 2Π-state molecule in the presence of a magnetic field. We analyze the collisional Hamiltonian and discuss possible mechanisms for inelastic collisions in such systems. The theory is applied to the collisions of the nitrogen atom (4S) with the OH molecule, with both collision partners initially in fully spin-stretched (magnetically trappable) states, assuming that the interaction takes place exclusively on the two high-spin (quintet) potential energy surfaces. The surfaces for the quintet states are obtained from spin-unrestricted coupled-cluster calculations with single, double, and noniterative triple excitations. We find substantial inelasticity, arising from strong couplings due to the anisotropy of the interaction potential and the anisotropic spin–spin dipolar interaction. The mechanism involving the dipolar interaction dominates for small magnetic field strengths and ultralow collision energies, while the mechanism involving the potential anisotropy prevails when the field strength is larger (above 100 G) or the collision energy is higher (above 1 mK). The numerical results suggest that sympathetic cooling of magnetically trapped OH by collisions with ultracold N atoms will not be successful at higher temperatures.

Citation

Skomorowski, W., Gonzalez-Martinez, M. L., Moszynski, R., & Hutson, J. M. (2011). Cold collisions of an open-shell S-state atom with a (2)Pi molecule : N(S-4) colliding with OH in a magnetic field. Physical Chemistry Chemical Physics, 13(42), 19077-19088. https://doi.org/10.1039/c1cp21200a

Journal Article Type Article
Publication Date Nov 14, 2011
Deposit Date Jun 19, 2013
Publicly Available Date Jun 27, 2013
Journal Physical Chemistry Chemical Physics
Print ISSN 1463-9076
Electronic ISSN 1463-9084
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 13
Issue 42
Pages 19077-19088
DOI https://doi.org/10.1039/c1cp21200a

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