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Phys. Rev. A 68, 051401(R) (2003) [4 pages]

Low-temperature collisions of NH(X3Σ-) molecules with He atoms in a magnetic field: An ab initio study

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R. V. Krems1,2,*, H. R. Sadeghpour2, A. Dalgarno2, D. Zgid3, J. Kłos4, and G. Chałasiński3,†
1Harvard-MIT Center for Ultracold Atoms, Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA
2ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138, USA
3Faculty of Chemistry, Warsaw University, Pasteura 1, 03-093 Warszawa, Poland
4Institute of Theoretical Chemistry, NSRIM, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands

Received 14 July 2003; published 12 November 2003

Ab initio calculations of cross sections and rate constants for elastic scattering and Zeeman relaxation in collisions of NH(X3Σ-) molecules with 3He atoms in a magnetic field are presented and the mechanism for Zeeman transitions in ground-state 3Σ molecules is established. The potential surface for He-NH interaction is obtained using all-electron coupled-cluster calculations with single, double, and noniterative triple excitations in a basis set augmented by bond functions. The ratio of the rates for elastic energy transfer and Zeeman relaxation in NH-3He collisions exceeds 105 at temperatures between 0.5 and 1 K.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.68.051401
DOI:
10.1103/PhysRevA.68.051401
PACS:
32.60.+i, 34.50.-s, 32.80.Pj

*Electronic mail: rkrems@cfa.harvard.edu

†Also at Department of Chemistry, Oakland University, Rochester, MI 48309, USA.

 
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