首页> 外文期刊>The Journal of Chemical Physics >IRREDUCIBLE DIPOLE COMPONENTS OF THREE INTERACTING H-2 MOLECULES AND THE TRIPLE Q(1) TRANSITION NEAR 12 466 CM(-1)
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IRREDUCIBLE DIPOLE COMPONENTS OF THREE INTERACTING H-2 MOLECULES AND THE TRIPLE Q(1) TRANSITION NEAR 12 466 CM(-1)

机译:三种相互作用的H-2分子和三重Q(1)跃迁的不可约二极组分12466 CM(-1)

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We have previously obtained parameter-free models of the overlap-induced, irreducible, ternary dipole components of three interacting H-2 molecules, which were successful in reproducing existing measurements of the ternary collision-induced absorption in the H-2 fundamental band [Phys. Rev. A 49, 4508 (1994)]. Here, we use these models to calculate the intensity of the triple Q(1) transition, which has been recently observed in compressed hydrogen gas in absorption near 12 466 cm(-1). Simultaneous transitions in three interacting H-2 molecules are thought to arise from irreducible, ternary dipole components. We calculate an intensity of the triple Q(1) transition in reasonable agreement with the measurement, within a factor of two or three for the three temperatures for which measurements exist. This fact demonstrates once more that the so-called antiparallel dipoles-induced dipole model, which is based on Jansen's one-effective electron approximation, is capable of describing ternary spectroscopic interactions in semi-quantitative detail. Other ternary, irreducible dipole components are shown to be less significant. (C) 1995 American Institute of Physics. [References: 26]
机译:我们以前已经获得了三个相互作用的H-2分子的重叠诱导的,不可还原的三元偶极子分量的无参数模型,这些模型成功地再现了H-2基带中三元碰撞诱导的吸收的现有测量值[Phys] 。 Rev.A 49,4508(1994)]。在这里,我们使用这些模型来计算三重Q(1)跃迁的强度,最近在压缩氢气中12466 cm(-1)附近的吸收氢中观察到了这一点。三个相互作用的H-2分子中的同时转变被认为是由不可还原的三元偶极子成分引起的。我们计算出与测量值合理一致的三重Q(1)跃迁的强度,对于存在测量值的三个温度,该强度在两个或三个因子之内。这一事实再次证明,基于扬森的有效电子近似的所谓反平行偶极子诱发的偶极子模型能够以半定量的方式描述三元光谱相互作用。其他不可还原的三元偶极子分量显示为不那么重要。 (C)1995年美国物理研究所。 [参考:26]

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