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arXiv 0809.3826physics.chem-phphysics.atom-phphysics.comp-ph
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关于激发态的标准Hylleraas-Undheim和MacDonald计算的注记

Remarks On The Standard Hylleraas-Undheim And MacDonald Computation Of Excited States

Naoum C. Bacalis

摘要:

对于激发态的计算,薛定谔方程的标准解,使用有限N维函数空间中的久期方程的高根,通过Hylleraas-Undheim和MacDonald定理,有几个限制,这使得它们的质量较低,相对于最低根,如果后者足够好。这些缺陷的报告,防止与准确的实验进行比较。

英文摘要:

For the computation of excited states, the standard solutions of the Schroedinger equation, using higher roots of a secular equation in a finite N-dimensional function space, by the Hylleraas-Undheim and MacDonald theorem, have several restrictions, which render them of lower quality, relative to the lowest root, if the latter is good enough. These deficiencies are reported, that prevent from comparisons with accurate experiments.

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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