中国物理B ›› 2010, Vol. 19 ›› Issue (6): 63401-063401.doi: 10.1088/1674-1056/19/6/063401

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Rovibrational quenching of BH in ultracold 3He collisions

宫明艳, 胡小龙, 陈侠, 牛梅, 凤尔银   

  1. Department of Physics, Anhui Normal University, Wuhu 241000, China
  • 收稿日期:2009-09-18 出版日期:2010-06-15 发布日期:2010-06-15
  • 基金资助:
    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).

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)   

  1. Department of Physics, Anhui Normal University, Wuhu 241000, China
  • Received:2009-09-18 Online:2010-06-15 Published:2010-06-15
  • Supported by:
    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).

摘要: 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.

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.

Key words: He--BH complex, potential energy surface, cold collision, cross section

中图分类号:  (Vibration-rotation analysis)

  • 33.20.Vq
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)