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Quantum Chemistry
Non-existence of Taylor expansion in time due to cusps
arXiv
Authors: Zeng-hui Yang, Kieron Burke
Year
2013
Paper ID
33136
Status
Preprint
Abstract Read
~2 min
Abstract Words
123
Citations
N/A
Abstract
In the usual treatment of electronic structure, all matter has cusps in the electronic density at nuclei. Cusps can produce non-analytic behavior in time, even in response to perturbations that are time-analytic. We analyze these non-analyticities in a simple case from many perspectives. We describe a method, the s-expansion, that can be used in several such cases, and illustrate it with a variety of examples. These include both the sudden appearance of electric fields and disappearance of nuclei, in both one and three dimensions. When successful, the s-expansion yields the dominant short-time behavior, no matter how strong the external electric field, but agrees with linear response theory in the weak limit. We discuss the relevance of these results to time-dependent density functional theory.
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- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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- In the usual treatment of electronic structure, all matter has cusps in the electronic density at nuclei.
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