A new challenge for time-dependent density-functional theory
Other Condensed Matter
2015-06-25 v1
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.
Cite
@article{arxiv.cond-mat/0606534,
title = {A new challenge for time-dependent density-functional theory},
author = {Meta van Faassen and Kieron Burke},
journal= {arXiv preprint arXiv:cond-mat/0606534},
year = {2015}
}
Comments
1 table, 5 figures submitted to Chemical Physics Letters