Analyzing the electronic structure of molecules using continuous symmetry measures
Analyzing the electronic structure of molecules using continuous symmetry measures
复制标题
使用连续对称性测量分析分子的电子结构
DOI：
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发表时间：
2013
期刊：
影响因子：
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通讯作者：
P. Alemany
中科院分区：
文献类型：
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作者：
P. Alemany
自科学理论早期发展以来，在科学理论中引入了与对称有关的论点，这导致了一个明显的悖论：高度对称的模型经常被应用于这种对称性不存在(或仅以近似方式存在)的情况。本文提出了一种解决这种情况的方法--连续对称性度量的形式，并着重介绍了它在量子化学相关问题中的应用。©2012 Wiley期刊，Inc.
The introduction of symmetry-related arguments in scientific theories since its early development has led to an apparent paradox: highly symmetric models are routinely being applied to situations where this symmetry is not present (or only present in an approximate way). In this article, the formalism of continuous symmetry measures is presented as a solution to this situation, making a special emphasis on its application to problems related to quantum chemistry. © 2012 Wiley Periodicals, Inc.