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arXiv physics/0602187physics.chem-phphysics.comp-ph
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探索理论与计算的和谐--统一的电子结构理论

Exploring Harmony between Theory and Computation - Toward a unified electronic structure theory

Liqiang Wei

摘要:

物理方面的一般微扰理论进行了探讨。它作为理解不同层次物质之间相互作用的物理原理的作用受到赞赏。结果表明,一般微扰理论不仅可以用来理解包括化学键性质在内的各种电子现象,而且可以作为发展$\it{general}$电子结构理论和计算方案的$\it{unified}$主题。根据这一规律,提出并建立了$\it{standard}$电子关联方法.

英文摘要:

The physical aspect of a general perturbation theory is explored. Its role as a physical principle for understanding the interaction among matter with different levels of hierarchy is appreciated. It is shown that the generic perturbation theory can not only be used for understanding various electronic phenomena including the nature of chemical bonds but also serve as a $\it{unified}$ theme for developing $\it{general}$ electronic structure theories and calculation schemes. In particular, a $\it{standard}$ electron correlation approach is suggested and established according to this law.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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