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Chin. Phys. B, 2010, Vol. 19(6): 063401    DOI: 10.1088/1674-1056/19/6/063401
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

Rovibrational quenching of BH in ultracold 3He collisions

Gong Ming-Yan(宫明艳), Hu Xiao-Long(胡小龙), Chen Xia(陈侠), Niu Mei(牛梅), and Feng Er-Yin(凤尔银)
Department of Physics, Anhui Normal University, Wuhu 241000, China
Abstract  The interaction potential of a He--BH complex is investigated by the coupled-cluster single-double plus perturbative triples (CCSD (T)) method and an augmented correlation consistent polarized valence (aug-cc-pV)5Z basis set extended with a set of (3s3p2d1f1g) midbond functions. Using the five two-dimensional model potentials, the first three-dimensional interaction potential energy surface is constructed by interpolating along ($r-r_{\rm e}$) by using a fourth-order polynomial. The cross sections for the rovibrational relaxation of BH in cold and ultracold collisions with 3He atom are calculated based on the three-dimensional potential. The results show that the $\Delta v = - 1$ transition is more efficient than the $\varDelta v = - 2$ transition, and that the process of relaxation takes place mainly between rotational energy levels with the same vibration state and the $\varDelta j = - 1$ transition is the most efficient. The zero temperature quenching rate coefficient is finite as predicted by Wigner's law. The resonance is found to take place around 0.1--1~cm^{ - 1} translational energy, which gives rise to a step in the rate coefficients for temperatures around 0.1--1~K. The final rotational distributions in the state $v = 0$ resulting from the quenching of state ($v = 1$, $j = 0$) at three energies corresponding to the three different regimes are also given.
Keywords:  He--BH complex      potential energy surface      cold collision      cross section  
Received:  18 September 2009      Accepted manuscript online: 
PACS:  33.20.Vq (Vibration-rotation analysis)  
  34.50.Ez (Rotational and vibrational energy transfer)  
  31.15.bw (Coupled-cluster theory)  
  31.15.xp (Perturbation theory)  
  34.20.-b (Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No.~10874001), the Key Grant Project of the Chinese Ministry of Education (Grant No.~208057), and the Natural Science Foundation of Anhui Province, China (Grant No.~070416236).

Cite this article: 

Gong Ming-Yan(宫明艳), Hu Xiao-Long(胡小龙), Chen Xia(陈侠), Niu Mei(牛梅), and Feng Er-Yin(凤尔银) Rovibrational quenching of BH in ultracold 3He collisions 2010 Chin. Phys. B 19 063401

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