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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Adiabatic Interaction Leading to the Avoided Crossing between the Twin 3~1_g and 4~1_g Rydberg States in Na_2
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Adiabatic Interaction Leading to the Avoided Crossing between the Twin 3~1_g and 4~1_g Rydberg States in Na_2

机译：绝热相互作用导致在Na_2中避免孪生3〜1_g和4〜1_g Rydberg态交叉

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摘要

We present detailed investigations of our previously reported observations of the 3~1_g and 4~1_g Rydberg states having separated-atom limits of Na(3s) + Na(4d) and Na(3s) + Na(4f),respectively, of Na2 using high-resolution cw optical-optical double resonance spectroscopic measurements and analyzing the assigned rovibrational energy levels both by the individual linear fit method and the Dunham polynomial fit method.We have sorted out e/f-parity observed energy levels, and then from the Dunham polynomial fits of the e-parity levels, we have derived molecular constants and constructed Rydberg-Klein-Rees potentials of the 31g and 41g states, which appear to be twin states with an avoided crossing at Rc ) 4.10 A and a splitting of Ec ) 94 cm~(-1). The potentials are in good agreement with the ab initio calculations and linear fit results. The -doubling splittings and the (f-d) l-mixing are investigated. A detailed discussion is focused on the adiabatic interaction of the perturbed molecular wave functions/states causing mutual amplitude/intensity sharing giving rise to avoided crossing between the 3~1_g and 4~1_g states.
机译：我们目前对我们先前报道的3〜1_g和4〜1_g Rydberg态的详细研究，这些态分别具有Na（3s）+ Na（4d）和Na（3s）+ Na（4f）分开的原子极限使用高分辨率连续双光学光谱法测量并通过个体线性拟合方法和Dunham多项式拟合方法分析分配的振动能级，我们从e / f奇偶性观察到的能级中进行了分类，然后从电子平价水平的邓纳姆多项式拟合，我们已经得出了分子常数，并构造了31g和41g状态的Rydberg-Klein-Rees势，它们似乎是孪生态，在Rc）4.10 A处避免了交叉，并分裂了Ec ）94厘米〜（-1）。电位与从头算和线性拟合结果非常吻合。研究了加倍分裂和（f-d）l混合。详细的讨论集中在扰动的分子波函数/状态的绝热相互作用，从而引起相互的振幅/强度共享，从而避免了3〜1_g和4〜1_g状态之间的交叉。

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