原子和分子中电子散射的线性代数方法:计算技术

B.I. Schneider , L.A. Collins
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引用次数: 22

摘要

描述了原子和分子中电子散射的线性代数方法(LAM),特别强调了用于在实际系统中进行数值计算的技术。我们从一个简单的,一维的,非局部的势的散射开始详细讨论,移动到更复杂的多通道问题,并以一些例子结束。在整个讨论中,我们强调了作者在处理代数方程时所发展的基本理论和数值方法之间的强烈相互作用。
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The linear algebraic method for the scattering of electrons from atoms and molecules: Computational techniques

The linear algebraic method (LAM) for the scattering of electrons from atoms and molecules is described with particular emphasis on the techniques used to perform numerical calculations on real systems. We begin with a detailed discussion of scattering from a simple, one-dimensional, non-local potential, move to more complicated multichannel problems, and conclude with some examples. Throughout the discussion we stress the strong interplay between the basic theory and the numerical methods developed by the authors to treat the algebraic equations.

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The dynamics of molecule-surface interaction Contents to volume 12 The knowledge-based system GRAPE and its application to Landau theory analysis for magnetic space groups The knowledge-based system GRAPE and its application to Landau theory analysis for magnetic space groups Preface
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