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Delocalized Natural Orbitals in Atomic and Molecular Systems
並列摘要
We use the method of natural orbitals or natural expansion to analyse electronic wavefunctions.Tests of the electronic wavefunctions of excited states show that the double occupation scheme and the symmetry constraint may result in ambiguous results for natural orbitals.
並列關鍵字
無資料被引用紀錄
Chiang, T. W. (2015). 運用可滿足性求解於安全賽局及低功率狀態滯留電路之可擴充性合成 [master's thesis, National Taiwan University]. Airiti Library. https://doi.org/10.6342/NTU.2015.02833
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