期刊
JOURNAL OF CHEMICAL PHYSICS
卷 131, 期 9, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3192101
关键词
ab initio calculations; atom-ion collisions; atom-photon collisions; Gaussian distribution; laser cooling; negative ions; oxygen compounds; potential energy surfaces; rotational-vibrational energy transfer; rubidium
资金
- National Research Network 2006 [PRIN2006]
- Research Committee of University of Rome
- CASPUR Supercomputing Consortium
- University of Rome
A new three-dimensional potential energy surface (PES), which describes the interaction between the OH-(X (1)Sigma(+)) anionic molecule and the Rb(S-2) atomic gas has been obtained by using a highly correlated ab initio model of the electronic structure and a large atomic basis set supplemented with a set of midbond Gaussian functions. This accurate PES is being employed to evaluate the OH-(X (1)Sigma(+)) vibrational quenching efficiency induced by collisions with Rb(S-2) at low and ultralow energies. Calculations employ the coupled-channel ansatz to describe the nuclear quantum dynamics and finally show a very marked dependence of the inelastic cross sections and rates, at vanishing collision energies, on the initial vibrational energy content of the partner molecules. The present findings allow us to make specific suggestions on the likely outcomes from energy interplay between the title species within a mixed MOT/Paul Trap environment.
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