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arXiv · 1405.1647

Functional differentiability in time-dependent quantum mechanics

Markus Penz·Michael Ruggenthaler
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Abstract

In this work we investigate the functional differentiability of the time-dependent many-body wave function and of derived quantities with respect to time-dependent potentials. For properly chosen Banach spaces of potentials and wave functions Fréchet differentiability is proven. From this follows an estimate for the difference of two solutions to the time-dependent Schrödinger equation that evolve under the influence of different potentials. Such results can be applied directly to the one-particle density and to bounded operators, and present a rigorous formulation of non-equilibrium linear-response theory where the usual Lehmann representation of the linear-response kernel is not valid. Further, the Fréchet differentiability of the wave function provides a new route towards proving basic properties of time-dependent density-functional theory.

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Markus Penz, Michael Ruggenthaler. 2015-04-17. Functional differentiability in time-dependent quantum mechanics. https://doi.org/10.1063/1.4916390

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