Configuration Expansion by Means of Pseudonatural Orbitals

Configuration Expansion by Means of Pseudonatural Orbitals
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通过赝自然轨道进行构型扩展

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发表时间:
1977
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通讯作者:
W. Meyer
W. Meyer
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作者:
W. Meyer

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组态相互作用(CI)方法作为求解多电子薛定谔方程的一般方法,原则上可以达到任何所需的精度,在本卷中由Shavitt进行了描述。我们参考这一章的CI方法的所有基本概念和它的优点和计算问题的概述。
The configuration interaction (CI) method as a general approach to solving the many-electron Schrodinger equation to—in principle—any desired accuracy, has been described in this volume by Shavitt. We refer to that chapter for all basic concepts of the CI method and an outline of its merits and its computational problems.