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The Jahn-Teller Effect and Spin-Orbit Coupling in Alkali Trimers: Spectroscopic Experiments and Ab Initio Calculations

机译:碱性三聚体中的Jahn-Teller效果和旋转轨道偶联:光谱实验和AB初始计算

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Superfluid clusters of 10~4 or more helium atoms provide an almost interaction free matrix of 0.37 K temperature [1] which has allowed the observation of very weakly bound dopant molecules. Doping helium droplets with alkali metal atoms has shown that these species stay at the surface where they can react to form dimers and trimers, whose identification was achieved by a combination of sophisticated laser spectroscopic methods and quantum chemistry calculations [2, 3]. A fascinating aspect of helium-droplet spectroscopy is its high-spin selectivity: the weakly bound van-der-Waals molecules, i.e. triplet and quartet multiplicity for alkali dimers and trimers, respectively, are preferably observed on the droplets since much less formation energy is dissipated in the droplet [4, 5]. While immediate interest in these species derives from research on ultracold gases, atomic cooling/trapping, cold collisions, molecule deceleration and molecular Bose-Einstein condensates, one may look at these exotic molecules as benchmark systems for current methods of quantum chemistry.
机译:10〜4或更多氦原子的超氟簇提供了0.37k温度[1]的几乎相互作用基质,其允许观察非常弱掺杂的掺杂剂分子。掺杂具有碱金属原子的氦液滴表明,这些物质保持在表面,它们可以反应形成二聚体和三聚体,其鉴定通过复杂的激光光谱方法和量子化学计算的组合来实现[2,3]。氦 - 液滴光谱的迷人方面是其高旋转选择性:弱结合的范德华分子,即分别在液滴上观察到碱金属二聚体和三聚体的三重态和四重奏多重性,因为较少的形成能量在液滴中消散[4,5]。虽然对这些物种的立即兴趣源于对超薄气体的研究,但原子冷却/捕获,冷碰撞,分子减速和分子嗜合脂缩合物,可以看出这些异种分子作为用于量子化学方法的基准系统。

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