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首页> 外文学位 >Application of the Schwinger multichannel method to multichannel studies of electronically inelastic electron-molecule collisions.
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Application of the Schwinger multichannel method to multichannel studies of electronically inelastic electron-molecule collisions.

机译：Schwinger多通道方法在电子非弹性电子分子碰撞的多通道研究中的应用。

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摘要

We have applied the Schwinger Multichannel Method (SMC) to the study of electronically inelastic, low energy electron-molecule collisions. The focus of these studies has been the assessment of the importance of multichannel coupling to the dynamics of these excitation processes. It has transpired that the promising quality of results realized in early SMC work on such inelastic scattering processes has been far more difficult to obtain in these more sophisticated studies.;In conjunction with this SVD procedure, the SMC method has been applied to the study of the H;We have attempted to understand the sources of instability of the SMC method which are evident in these multichannel studies. Particular instances of such instability have been considered in detail, which indicate that linear dependence, failure of the separable potential approximation, and difficulties in converging matrix elements involving recorrelation or Q-space terms all conspire to complicate application of the SMC method to these studies. A method involving singular value decomposition (SVD) has been developed to, if not resolve these problems, at least mitigate their deleterious effects on the computation of electronically inelastic cross sections.
机译：我们已经将Schwinger多通道方法（SMC）应用于电子非弹性，低能电子分子碰撞的研究。这些研究的重点是评估多通道耦合对这些激发过程动力学的重要性。事实证明，在这些更复杂的研究中，SMC在此类非弹性散射过程的早期工作中获得的有希望的结果的质量要困难得多。;结合SVD程序，SMC方法已被用于研究H；我们试图理解SMC方法不稳定的根源，这些在这些多通道研究中显而易见。已经详细考虑了这种不稳定性的特殊情况，这表明线性相关性，可分势近似的失败以及涉及相关性或Q空间项的矩阵元素收敛的困难，都使SMC方法在这些研究中的应用复杂化。已经开发出一种涉及奇异值分解（SVD）的方法，如果不能解决这些问题，则至少减轻其对电子非弹性截面计算的有害影响。

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  • 作者

    Pritchard, Howard Porter.;

  • 作者单位

    California Institute of Technology.;

  • 授予单位 California Institute of Technology.;
  • 学科 Chemistry Physical.
  • 学位 Ph.D.
  • 年度 1994
  • 页码 189 p.
  • 总页数 189
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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