Domains of time-dependent density-potential mappings

DOI10.1088/1751-8113/44/33/335208MaRDI QIDQ3091854zbMATH OpenOpenAlexWikidataFDO

Authors Markus Penz, Michael Ruggenthaler

Publication date 14 September 2011

Published in Journal of Physics A: Mathematical and Theoretical (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1103.1983

zbMATH Keywords

density functional theorySturm-Liouville problemweak solutions

Mathematics Subject Classification ID

Existence problems for PDEs: global existence, local existence, non-existence (35A01) Uniqueness problems for PDEs: global uniqueness, local uniqueness, non-uniqueness (35A02) PDEs in connection with statistical mechanics (35Q82) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Interacting particle systems in time-dependent statistical mechanics (82C22)

Abstract: The key element in time-dependent density functional theory is the one-to-one correspondence between the one-particle density and the external potential. In most approaches this mapping is transformed into a certain type of Sturm-Liouville problem. Here we give conditions for existence and uniqueness of solutions and construct the weighted Sobolev space they lie in. As a result the class of v-representable densities is considerably widened with respect to previous work.

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Cited in

(2)

• On the existence of effective potentials in time-dependent density functional theory
• Beyond v-representability: local one-body Hamiltonians for arbitrary densities

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