Beyond universality: Parametrizing ultracold complex-mediated reactions using statistical assumptions
Entity
UAM. Departamento de Química Física AplicadaPublisher
American Physical SocietyDate
2015-03-25Citation
10.1103/PhysRevA.91.030701
Physical Review A 91.3 (2015): 030701
ISSN
1050-2947 (print); 1094-1622 (online)DOI
10.1103/PhysRevA.91.030701Funded by
The Spanish Ministry of Economy and Competitiveness (Grants CSD-2009-0038 and CTQ2012-37404-C02) are gratefully acknowledgedProject
Gobierno de España. CSD-2009-00038; Gobierno de España. CTQ2012-37404-C02Editor's Version
http://dx.doi.org/10.1103/PhysRevA.91.030701Subjects
Reaction kinetics; Kinetics; Mediated reactions; Statistical modeling; QuímicaRights
© 2015 American Physical SocietyAbstract
We have calculated accurate quantum reactive and elastic cross sections for the prototypical barrierless reaction D++H2(v=0,j=0) using a modified hyperspherical scattering method. The considered kinetic energy ranges from the ultracold to the Langevin regimes. A reaction rate coefficient practically constant in no less than eight orders of magnitude is obtained. The availability of accurate results for this system allows one to test the quantum theory by Jachymski et al. [K. Jachymski, M. Krych, P. S. Julienne, and Z. Idziaszek, Phys. Rev. Lett. 110, 213202 (2013) in a nonuniversal case. The short-range reaction probability is rationalized using statistical model assumptions and related to a statistical factor. This provides a means to estimate one of the parameters that characterizes ultracold processes from first principles
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Google Scholar:Launay, Jean-Michel
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Aoiz, Francisco Javier
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Lara Garrido, Manuel
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Jambrina, Pablo G.
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