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M—X（M=Cu，Ag，Au，X=He，Ne，Ar）二聚物束缚态特征的理论研究（摘要）

童小菲, 杨传路, 安义鹏, 王美山, 马晓光, 王德华

Published Jan 1, 2010• 0 citations
OpenAlex

Abstract

近年来，超冷原子及超冷分子的研究备受人们的关注，缓冲气体冷却法作为最为普遍有效的研究手段得到广泛应用．但实现具体原子和分子的冷却前需要对相应原子或分子与作为缓冲物质的气体的相互作用有足够的了解．稀有气体是良好的缓冲气体，现已有He实现了贵金属原子冷却的报道，但其它稀有气体是否也能用作缓冲气体还需要进一步研究．

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近年来，超冷原子及超冷分子的研究备受人们的关注，缓冲气体冷却法作为最为普遍有效的研究手段得到广泛应用．但实现具体原子和分子的冷却前需要对相应原子或分子与作为缓冲物质的气体的相互作用有足够的了解．稀有气体是良好的缓冲气体，现已有He实现了贵金属原子冷却的报道，但其它稀有气体是否也能用作缓冲气体还需要进一步研究．
量子力学与经典力学之间的兼容性总是值得讨论的。薛定谔方程（SE）可以 由F=马和T+V=E。重要的经典物理公式可以从SE推导出来。SE直观上包含质量m和势能公式（该质量m可以足够大以进入宏观范围，势能来自经典吸引力）。这三点确定了SE是波函数和经典力学定律的有机结合。基于此，可以预测可用于描述宏观物体的SE能够被建立。从电子在磁场中的衍射实验中可以观察到，运动电子的挥发性和性质可以同时呈现。这一实验现象，加上上述数学分析，支持牛顿第二定律在微观世界中仍然适用的结论。根据SE，可以证明“波动定律描述的运动粒子的能量等价于其动能的整数倍”;宏观与微观（或经典与量子）之间没有绝对的界限，它们可以兼容。
The potential energy curves (PECs) of the bound states of M-X (M=Cu, Ag, and Au and X=He, Ne, and Ar) complexes have been calculated using the coupled cluster singles and doubles method with perturbative treatment of triple excitations. Large basis sets and bond functions, as well as the basis set superposition errors, are employed to obtain accurate PECs. The analytical potential energy functions (APEFs) are fitted using the PECs. The vibrational energy levels and the spectroscopic parameters for the complexes are determined using our APEFs and compared to the theoretical works available at present. We also find that the PECs are bound with similar van der Waals interactions, which implies that He, Ne, and Ar may be used for buffer-gas cooling; and Cu, Ag, and Au may be trapped with a similar method because Cu and Ag have been experimentally trapped with He buffer-gas cooling.
We have trapped large numbers of copper (Cu) and silver (Ag) atoms using buffer-gas cooling. Up to $3\ifmmode\times\else\texttimes\fi{}{10}^{12}\text{ }\text{ }\mathrm{Cu}$ atoms and $4\ifmmode\times\else\texttimes\fi{}{10}^{13}\text{ }\text{ }\mathrm{Ag}$ atoms are trapped. Lifetimes are as long as 5 s, limited by collisions with the buffer gas. Ratios of elastic to inelastic collision rates with He are $\ensuremath{\gtrsim}{10}^{6}$, suggesting Cu and Ag are favorable for use in ultracold applications. The temperature dependence of the $\mathrm{Ag}\mathrm{\text{\ensuremath{-}}}^{3}\mathrm{He}$ collision rate varies as ${T}^{5.8\ifmmode\pm\else\textpm\fi{}0.4}$. We find that this temperature dependence is inconsistent with the behavior predicted for relaxation arising from the spin-rotation interaction, and conclude that the $\mathrm{Ag}\mathrm{\text{\ensuremath{-}}}^{3}\mathrm{He}$ system displays anomalous collisional behavior in the multiple-partial wave regime. Gold (Au) was ablated into 3He^{3}\mathrm{He}3He buffer gas, however, atomic Au lifetimes were observed to be too short to permit trapping.
Using nozzle beams of He, Ne, and Ar, we have measured diffractive selective adsorption resonances from a Cu(110) surface kept at 20 K. Bound state energies of the atom-surface potentials have been determined from plots of the measured resonance energies versus incident angle and their fits to calculated kinematical dispersion relations. For 3He and 4He we have found a unique level assignment that is compatible with a single gas-surface potential curve with a well depth of 6.05 meV of the He-Cu(110) potential. This value is about 10% larger than the prediction of 5.55 meV from the current physisorption theory. The Ne and Ar data reveal a large number of closely spaced levels with level separations and estimated van der Waals coefficients that are compatible with available theoretical data.