4.7 Article

Collisional excitation of singly deuterated ammonia NH2D by H2

Journal

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
Volume 444, Issue 3, Pages 2544-2554

Publisher

OXFORD UNIV PRESS
DOI: 10.1093/mnras/stu1670

Keywords

molecular data; molecular processes; scattering

Funding

  1. Rhone-Alpes region [CPER07_13 CIRA]
  2. NASA (Herschel OT) through JPL/Caltech
  3. Agence Nationale de la Recherche (ANR-HYDRIDES) [ANR-12-BS05-0011-01]
  4. CNRS national programme 'Physico-Chimie du Milieu Interstellaire'

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The availability of collisional rate coefficients with H-2 is a pre-requisite for interpretation of observations of molecules whose energy levels are populated under non-local thermodynamical equilibrium conditions. In the current study, we present collisional rate coefficients for the NH2D/para-H-2(J(2) = 0, 2) collisional system, for energy levels up to J(tau) = 7(7) (E-u similar to 735 K) and for gas temperatures in the range T = 5-300 K. The cross-sections are obtained using the essentially exact close-coupling (CC) formalism at low energy and at the highest energies, we used the coupled-states (CS) approximation. For the energy levels up to J(tau) = 4(2) (E-u similar to 215 K), the cross-sections obtained through the CS formalism are scaled according to a few CC reference points. These reference points are subsequently used to estimate the accuracy of the rate coefficients for higher levels, which is mainly limited by the use of the CS formalism. Considering the current potential energy surface, the rate coefficients are thus expected to be accurate to within 5 per cent for the levels below J(tau) = 4(2), while we estimate an accuracy of 30 per cent for higher levels.

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