Article ID Journal Published Year Pages File Type
5390245 Chemical Physics Letters 2006 5 Pages PDF
Abstract
We show that the s- and p-quantum defects of Be are well described by the ALDA within TDDFT, but it fails badly for the d-quantum defect. The same failure is observed in case of He. This provides a new challenge for functional development in time-dependent density functional theory.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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A new challenge for time-dependent density functional theory
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