Direct diagrammatic construction scheme for the inelastic propagator between simply excited states
Direct diagrammatic construction scheme for the inelastic propagator between simply excited states
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简单激发态间非弹性传播器的直接图解构造方案
DOI：
10.1103/physreva.72.022731
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发表时间：
2005
影响因子：
2.9
通讯作者：
L. Cederbaum
中科院分区：
文献类型：
--
作者：
B. Feuerbacher;L. Cederbaum
我们开发了一个直接的非弹性传播，它描述了非弹性散射过程的图解构造方案。从先前提出的“直接方法”的非弹性传播，其中涉及一个高阶弹性绿色的功能，我们展示了如何可以获得简单的激励，而无需实际评估所有的图高阶绿色的功能的非弹性传播。讨论了目标分子本身或其阳离子或阴离子为闭壳层体系的三种情况。概括的方法，以获得非弹性传播更高的激励之间的简要说明。
We develop a direct diagrammatic construction scheme for the inelastic propagator, which describes inelastic scattering processes. Starting from the previously presented 'direct approach' to the inelastic propagator, which involves a higher-order elastic Green's function, we show how one can obtain the inelastic propagator for simple excitations without actually evaluating all the diagrams for the higher-order Green's function. The three cases where either the target molecule itself or its cation or anion is a closed-shell system are discussed. A generalization of the method to obtaining inelastic propagators between higher excitations is briefly addressed.