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Calculations of state-selective differential cross sections for charge transfer in collisions between O3+ and H2

机译:O3 +和H2碰撞中电荷转移的状态选择微分截面的计算

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The non-dissociative charge-transfer processes in collisions between O3+ and H2 are investigated by using the quantum-mechanical molecular-orbital coupled-channel (QMOCC) method. The adiabatic potentials and radial cou-pling matrix elements.utilized in the QMOCC calculations are obtained with the spin-coupled valence-bond approach. Electronic and vibrational state-selective differential cross sections are presented for projectile energies of 0.1, 1.0 and 10.0 eV/u in the H2 orientation angles of 45° and 89°. The electronic and the vibrational state-selective differential cross sections show similar behaviours: they decrease as the scattering angle increases, and beyond a specific angle the oscillating structures appear. Moreover, it is also found that the vibrational state-selective differential cross sections are strongly orientation-dependent, which provides a possibility to determine the orientations of molecule H2 by identifying the vibrational state-selective differential scattering processes.
机译:利用量子力学分子轨道耦合通道(QMOCC)方法研究了O3 +和H2碰撞中的非解离电荷转移过程。 QMOCC计算中使用的绝热势和径向耦合矩阵元素是通过自旋耦合价键方法获得的。在45°和89°的H2定向角下,针对弹丸能量为0.1、1.0和10.0 eV / u的情况,给出了电子和振动状态选择性微分截面。电子和振动状态选择微分截面显示出相似的行为:它们随着散射角的增加而减小,并且超过特定的角度时,就会出现振荡结构。此外,还发现振动状态选择性微分截面强烈地依赖于取向,这提供了通过识别振动状态选择性微分散射过程来确定分子H 2的取向的可能性。

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