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Scattering of nitrogen molecules by silver atoms.

Publication ,  Journal Article
Loreau, J; Zhang, P; Dalgarno, A
Published in: The Journal of chemical physics
April 2012

We present a quantal study of the rotationally elastic and inelastic scattering of Ag and N(2), with the nitrogen molecule treated as a rigid rotor. The two-dimensional potential energy surface of the AgN(2) complex is obtained ab initio by means of the spin unrestricted coupled-cluster method with single, double, and perturbative triple excitations. The global minimum is found to be located at an internuclear distance of 8.13 a(0) and an angle of 127.2°. The long-range part of the potential is constructed from the dynamic electric dipole polarizabilities of Ag and N(2). Elastic, excitation, and relaxation cross sections and rates are calculated for energies between 0.1 and 5000 cm(-1). The momentum transfer cross sections and rates are also computed. Finally, we compare the cross sections for Ag-N(2) and Na-N(2) to explore the possibility of using silver instead of sodium in experimental tests.

Duke Scholars

Published In

The Journal of chemical physics

DOI

EISSN

1089-7690

ISSN

0021-9606

Publication Date

April 2012

Volume

136

Issue

16

Start / End Page

164305

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

Citation

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Loreau, J., Zhang, P., & Dalgarno, A. (2012). Scattering of nitrogen molecules by silver atoms. The Journal of Chemical Physics, 136(16), 164305. https://doi.org/10.1063/1.3703518
Loreau, Jérôme, Peng Zhang, and Alexander Dalgarno. “Scattering of nitrogen molecules by silver atoms.The Journal of Chemical Physics 136, no. 16 (April 2012): 164305. https://doi.org/10.1063/1.3703518.
Loreau J, Zhang P, Dalgarno A. Scattering of nitrogen molecules by silver atoms. The Journal of chemical physics. 2012 Apr;136(16):164305.
Loreau, Jérôme, et al. “Scattering of nitrogen molecules by silver atoms.The Journal of Chemical Physics, vol. 136, no. 16, Apr. 2012, p. 164305. Epmc, doi:10.1063/1.3703518.
Loreau J, Zhang P, Dalgarno A. Scattering of nitrogen molecules by silver atoms. The Journal of chemical physics. 2012 Apr;136(16):164305.

Published In

The Journal of chemical physics

DOI

EISSN

1089-7690

ISSN

0021-9606

Publication Date

April 2012

Volume

136

Issue

16

Start / End Page

164305

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences