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A new challenge for time-dependent density-functional theory | | Meta van Faassen
; Kieron Burke
; | | Date: |
20 Jun 2006 | | Subject: | Other | | Abstract: | Time-dependent density functional theory is thought to work well for the test cases of He and Be atoms. We perform a quantum defect analysis of the s, p, and d Rydberg states of Be with accurate ground state Kohn-Sham potentials. The s- and p-quantum defects are well described by the ALDA, but 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. | | Source: | arXiv, cond-mat/0606534 | | Services: | Forum | Review | PDF | Favorites | |
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