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arxiv: 1308.4445 · v2 · pith:CYKHQVUYnew · submitted 2013-08-20 · ⚛️ physics.atom-ph · cond-mat.mtrl-sci· cond-mat.other· quant-ph

Non-existence of Taylor expansion in time due to cusps

classification ⚛️ physics.atom-ph cond-mat.mtrl-scicond-mat.otherquant-ph
keywords cuspsbehaviordensityelectricelectronicmatternucleiresponse
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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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