Aufgrund von Vorbereitungen auf eine neue Version von KOPS, können kommenden Montag und Dienstag keine Publikationen eingereicht werden. (Due to preparations for a new version of KOPS, no publications can be submitted next Monday and Tuesday.)

A COKOSNUT code for the control of the time-dependent Kohn–Sham model

Cite This

Files in this item

Files Size Format View

There are no files associated with this item.

SPRENGEL, Martin, Gabriele CIARAMELLA, Alfio BORZÌ, 2017. A COKOSNUT code for the control of the time-dependent Kohn–Sham model. In: Computer Physics Communications. 214, pp. 231-238. ISSN 0010-4655. eISSN 1879-2944. Available under: doi: 10.1016/j.cpc.2017.01.020

@article{Sprengel2017-05COKOS-41226, title={A COKOSNUT code for the control of the time-dependent Kohn–Sham model}, year={2017}, doi={10.1016/j.cpc.2017.01.020}, volume={214}, issn={0010-4655}, journal={Computer Physics Communications}, pages={231--238}, author={Sprengel, Martin and Ciaramella, Gabriele and Borzì, Alfio} }

<rdf:RDF xmlns:dcterms="" xmlns:dc="" xmlns:rdf="" xmlns:bibo="" xmlns:dspace="" xmlns:foaf="" xmlns:void="" xmlns:xsd="" > <rdf:Description rdf:about=""> <dcterms:issued>2017-05</dcterms:issued> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <bibo:uri rdf:resource=""/> <dc:creator>Borzì, Alfio</dc:creator> <dcterms:isPartOf rdf:resource=""/> <dspace:isPartOfCollection rdf:resource=""/> <dc:creator>Sprengel, Martin</dc:creator> <dcterms:title>A COKOSNUT code for the control of the time-dependent Kohn–Sham model</dcterms:title> <dc:contributor>Ciaramella, Gabriele</dc:contributor> <dcterms:available rdf:datatype="">2018-02-05T13:48:14Z</dcterms:available> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dc:contributor>Sprengel, Martin</dc:contributor> <dcterms:abstract xml:lang="eng">Optimal control of multi-electron systems is considered in the framework of the time-dependent density functional theory. For this purpose, the MATLAB package COKOSNUT is presented that aims at solving optimal quantum control problems governed by the Kohn–Sham equation. This package includes a robust globalized nonlinear conjugate gradient scheme and an efficient splitting procedure for the numerical integration of the nonlinear Kohn–Sham equations in two dimensions. Results of numerical experiments demonstrate the ability of the COKOSNUT code in computing accurate optimal controls.</dcterms:abstract> <dc:contributor>Borzì, Alfio</dc:contributor> <dc:date rdf:datatype="">2018-02-05T13:48:14Z</dc:date> <dc:language>eng</dc:language> <dc:creator>Ciaramella, Gabriele</dc:creator> </rdf:Description> </rdf:RDF>

This item appears in the following Collection(s)

Search KOPS


My Account