BH+离子基态及激发态的势能曲线和跃迁性质的研究

作者:罗华锋;万明杰;黄多辉 刊名:物理学报 上传者:沈正南

【摘要】利用高精度的多组态相互作用及Davidson修正方法(MRCI+Q),采用ACV5Z-DK全电子基组计算了BH+离子的前4个离解通道B+(1Sg)+H(2Sg),B+(3Pu)+H(2Sg),B(2Pu)+H+(1Sg)和B+(1Pu)+H(2Sg)的9个Λ—S态的势能曲线.X2Σ+,A2Π和B2Σ+态的光谱常数和已有实验值符合得很好,其中b4Σ+,32Σ+,32Π和42Σ+态的光谱常数为首次报道,32Π和42Σ+态具有双势阱结构.预测了A2Π和B2Σ+态的辐射寿命:τ(A2Π)=239.2 ns和τ(B2Σ+)=431.2 ns.最后在考虑自旋轨道耦合效应下讨论了B2Σ+与A2Π态的势能曲线的相交对激光冷却BH+离子的影响.

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BH+离子基态及激发态的势能曲线和跃迁性质的研究 罗华锋 万明杰 黄多辉 Potential energy curves and transition properties for the ground and excited states of BH+ cation Luo Hua-Feng Wan Ming-Jie Huang Duo-Hui 引用信息 Citation: Acta Physica Sinica, 67, 043101 (2018) DOI: 10.7498/aps.20172409 在线阅读View online: http://dx.doi.org/10.7498/aps.20172409 当期内容View table of contents: http://wulixb.iphy.ac.cn/CN/Y2018/V67/I4 您可能感兴趣的其他文章 Articles you may be interested in 采用⴨对论多组态Dirac-Hartree-Fock方法对Mg原子同位素位移的理论研究 Theoretical calculations on isotope shifts of Mg I by using relativistic multiconfiguration Dirac-Hartree-Fock method 物理学报.2017, 66(11): 113101 http://dx.doi.org/10.7498/aps.66.113101 SiS低激发态势能曲线和光谱性质的全电子组态⴨互作用方法研究 All-electron configuration interaction study on potential energy curves of low-lying excited states and spec- troscopic properties of SiS 物理学报.2014, 63(11): 113102 http://dx.doi.org/10.7498/aps.63.113102 磁化等离子体环境对氢原子能级结构的影响 Combined effect of plasma environment and external magnetic field on hydrogen 物理学报.2013, 62(7): 073201 http://dx.doi.org/10.7498/aps.62.073201 SO+离子b4Σ−态光谱常数和分子常数研究 Investigations on spectroscopic parameters and molecular constants of SO+ (b4Σ−) cation 物理学报.2012, 61(24): 243102 http://dx.doi.org/10.7498/aps.61.243102 BF自由基X1Σ+和a3Π态光谱常数和分子常数研究 Spectroscopic parameters and molecular constants of X1Σ+ and a3Π electronic states of BF radical 物理学报.2012, 61(9): 093105 http://dx.doi.org/10.7498/aps.61.093105 物 理 学 报 Acta Phys. Sin. Vol. 67, No. 4 (2018) 043101 BH+离子基态及激发态的势能曲线和 跃迁性质的研究∗ 罗华锋1

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