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Potential Energy Curves and Associated Line Shape of Alkali-Metal and Noble-Gas Interactions.

机译：碱金属和稀有气体相互作用的势能曲线和相关的线形。

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摘要

Recent interest in optically-pumped alkali laser systems has prompted this study into the binary interaction potentials between species of alkali-metal atoms and raregas atoms and the effects of the collision of these species on the alkali-metal atom absorption spectrum. Special attention is placed on the relationship of the interaction potentials and the resulting line shape. The X2Sigma+ 1/2 A2pi1/2, A2pi 3/2, and B2Sigma+ 1/2 potential energy curves and associated dipole matrix elements are computed for M+Ng at the spin-orbit multi-reference configuration interaction level, where M = K, Rb, Cs and Ng = He, Ne, Ar. Dissociation energies and equilibrium positions for all minima are identified and corresponding vibrational energy levels are computed. Difference potentials are used together with the quasistatic approximation to estimate the position of satellite peaks of collisionally broadened D2 lines. The comparison of potential energy curves for different alkali-metal atom and noble-gas atom combinations is facilitated by using the same level of theory for all nine M + Ng pairs. The Anderson-Talman theory of spectral line broadening is used together with potential energy curves calculated at the spin-orbit multi-reference configuration interaction level to compute broadening, shifting, and asymmetry coefficients of the D1 and D2 lines. The calculated coefficients are compared to experiment for a variety of temperatures. In all cases general agreement is observed for the broadening coefficients, while significant disagreement is observed for the shifting coefficients. I also compare my K + He broadening and shifting results with fully quantum mechanical calculations that employ the Baranger theory of collisional line broadening, and then compare the results with other semiclassical calculations. As with the comparison to experiment, closer agreement is observed for the broadening coefficients while the shifting coefficients exhibit significant disagreement. I use the natural variation between the difference potentials of the nine M + Ng pairs to explore the relationship between potential and line shape as determined by Anderson-Talman theory and develop a picture for the mechanism that underlies the general agreement between theoretical and experimental results on the broadening coefficient and the general disagreement on shifting coefficients.
机译：最近对光学泵浦碱金属激光系统的兴趣促使这项研究深入研究了碱金属原子和稀有气体原子之间的二元相互作用势以及这些物质的碰撞对碱金属原子吸收光谱的影响。应特别注意相互作用电位与所得线形之间的关系。在自旋轨道多参考组态相互作用水平下，针对M + Ng计算X2Sigma + 1/2 A2pi1 / 2，A2pi 3/2和B2Sigma + 1/2势能曲线以及相关联的偶极矩阵元素。 Rb，Cs和Ng = He，Ne，Ar。确定所有极小值的解离能和平衡位置，并计算相应的振动能级。差电位与准静态近似一起使用，以估计碰撞加宽的D2线的卫星峰值的位置。通过对所有九对M + Ng对使用相同的理论水平，可以方便地比较不同碱金属原子和稀有气体原子组合的势能曲线。光谱线展宽的安德森-塔尔曼理论与在自旋轨道多参考配置相互作用水平计算的势能曲线一起使用，以计算D1和D2线的展宽，平移和不对称系数。将计算出的系数与各种温度下的实验进行比较。在所有情况下，对于扩展系数观察到总体一致，而对于移位系数观察到明显不同。我还将我的K + He展宽和位移结果与采用碰撞碰撞线展宽的Baranger理论的全量子力学计算进行比较，然后将结果与其他半经典计算进行比较。与对实验的比较一样，对于变宽系数，观察到更接近的一致性，而移位系数表现出明显的分歧。我利用九对M + Ng对的电位差之间的自然变化，探索了由Anderson-Talman理论确定的电位与线形之间的关系，并为在理论和实验结果之间达成普遍共识的机理画了一幅图。拓宽系数和关于位移系数的一般分歧。

著录项

  • 作者

    Blank, Larry Aaron.;

  • 作者单位

    Air Force Institute of Technology.;

  • 授予单位 Air Force Institute of Technology.;
  • 学科 Atomic physics.
  • 学位 Ph.D.
  • 年度 2014
  • 页码 176 p.
  • 总页数 176
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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