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首页> 外文期刊>The Journal of Chemical Physics >Emission by collisional H_2-He pairs at temperatures from 2 to 20 kK
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Emission by collisional H_2-He pairs at temperatures from 2 to 20 kK

机译:碰撞H_2-He对在2至20 kK的温度下发射

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摘要

The dipole surface of H_2 - He collisional pairs is computed from first principles for 20 intramolecular spacings of the H_2 molecule, from 0.6 to 4 Bohr; 11 separations of the H_2 - He pair, from 2 to 6 Bohr; and five values for the angle subtended by the intramolecular and intermolecular axes. From this dipole surface, the dipole matrix elements are obtained for all possible rotovibrational transitions |vJ> -> |v'J'>, with v and v' = 0,..., 14. Subsequently, the collision-induced emission spectra are computed for frequencies from 100 to 100 000 cm~(-1), at temperatures of thousands of Kelvin-a range believed to be important for various light sources of high gas densities, such as the atmospheres of "cool" stars, shockwaves, flames, rocket jets, etc. We find that at the lower temperatures considered, radiation is emitted mostly in the fundamental band of H_2, while at high temperatures the collision-induced emission spectra extend into the visible, with overtone transitions involving large #DELTA#v = v - v'.
机译:H_2-He碰撞对的偶极面是根据第一原理计算的H_2分子的20个分子内间距(从0.6到4 Bohr); H_2-He对的11个间隔,从2到6 Bohr;分子内和分子间轴对角的五个值。从该偶极表面,获得所有可能的旋转振动跃迁的偶极矩阵元素| vJ>-> | v'J'>,其中v和v'= 0,...,14。随后,碰撞诱导发射光谱在数千开尔文温度下计算的频率范围为100至100000 cm〜(-1),该温度范围对于各种高气体密度的光源(例如“冷”星的大气,冲击波,我们发现,在较低的温度下,辐射主要在H_2的基带中发射,而在高温下,碰撞引起的发射光谱会扩展到可见光,泛音跃迁涉及较大的#DELTA# v = v-v'。

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