A theoretical investigation of time-dependent Kohn–Sham equations : new proofs
A theoretical investigation of time-dependent Kohn–Sham equations : new proofs
No Thumbnail Available
Files
There are no files associated with this item.
Date
2021
Authors
Editors
Journal ISSN
Electronic ISSN
ISBN
Bibliographical data
Publisher
Series
DOI (citable link)
International patent number
Link to the license
oops
EU project number
Project
Open Access publication
Collections
Title in another language
Publication type
Journal article
Publication status
Published
Published in
Applicable Analysis ; 100 (2021), 10. - pp. 2254-2273. - Taylor & Francis. - ISSN 0003-6811. - eISSN 1563-504X
Abstract
In this paper, a new analysis for the existence, uniqueness, and regularity of solutions to a time-dependent Kohn–Sham equation is presented. The Kohn–Sham equation is a nonlinear integral Schrödinger equation that is of great importance in many applications in physics and computational chemistry. To deal with the time-dependent, nonlinear and non-local potentials of the Kohn–Sham equation, the analysis presented in this manuscript makes use of energy estimates, fixed-point arguments, regularization techniques, and direct estimates of the non-local potential terms. The assumptions considered for the time-dependent and nonlinear potentials make the obtained theoretical results suitable to be used also in an optimal control framework.
Summary in another language
Subject (DDC)
510 Mathematics
Keywords
Kohn–Sham model, time-dependent density functional theory, nonlinear Schrödinger equation
Conference
Review
undefined / . - undefined, undefined. - (undefined; undefined)
Cite This
ISO 690
CIARAMELLA, Gabriele, Martin SPRENGEL, Alfio BORZÌ, 2021. A theoretical investigation of time-dependent Kohn–Sham equations : new proofs. In: Applicable Analysis. Taylor & Francis. 100(10), pp. 2254-2273. ISSN 0003-6811. eISSN 1563-504X. Available under: doi: 10.1080/00036811.2019.1679792BibTex
@article{Ciaramella2021theor-48645, year={2021}, doi={10.1080/00036811.2019.1679792}, title={A theoretical investigation of time-dependent Kohn–Sham equations : new proofs}, number={10}, volume={100}, issn={0003-6811}, journal={Applicable Analysis}, pages={2254--2273}, author={Ciaramella, Gabriele and Sprengel, Martin and Borzì, Alfio} }
RDF
<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/server/rdf/resource/123456789/48645"> <dc:language>eng</dc:language> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/39"/> <foaf:homepage rdf:resource="http://localhost:8080/"/> <dc:creator>Ciaramella, Gabriele</dc:creator> <dcterms:abstract xml:lang="eng">In this paper, a new analysis for the existence, uniqueness, and regularity of solutions to a time-dependent Kohn–Sham equation is presented. The Kohn–Sham equation is a nonlinear integral Schrödinger equation that is of great importance in many applications in physics and computational chemistry. To deal with the time-dependent, nonlinear and non-local potentials of the Kohn–Sham equation, the analysis presented in this manuscript makes use of energy estimates, fixed-point arguments, regularization techniques, and direct estimates of the non-local potential terms. The assumptions considered for the time-dependent and nonlinear potentials make the obtained theoretical results suitable to be used also in an optimal control framework.</dcterms:abstract> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2020-02-14T12:46:33Z</dcterms:available> <dc:creator>Borzì, Alfio</dc:creator> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/39"/> <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/48645"/> <dcterms:issued>2021</dcterms:issued> <dc:contributor>Sprengel, Martin</dc:contributor> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2020-02-14T12:46:33Z</dc:date> <dcterms:title>A theoretical investigation of time-dependent Kohn–Sham equations : new proofs</dcterms:title> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dc:contributor>Borzì, Alfio</dc:contributor> <dc:creator>Sprengel, Martin</dc:creator> <dc:contributor>Ciaramella, Gabriele</dc:contributor> </rdf:Description> </rdf:RDF>
Internal note
xmlui.Submission.submit.DescribeStep.inputForms.label.kops_note_fromSubmitter
Examination date of dissertation
Method of financing
Comment on publication
Alliance license
Corresponding Authors der Uni Konstanz vorhanden
International Co-Authors
Bibliography of Konstanz
Yes
Refereed
Unknown