Full metadata record
| DC pole | Hodnota | Jazyk |
|---|---|---|
| dc.contributor.author | Novák, M. | |
| dc.contributor.author | Vackář, J. | |
| dc.contributor.author | Cimrman, R. | |
| dc.contributor.editor | Adámek, Vítězslav | |
| dc.contributor.editor | Jonášová, Alena | |
| dc.contributor.editor | Plánička, Stanislav | |
| dc.contributor.editor | Zajíček, Martin | |
| dc.date.accessioned | 2019-01-17T10:25:10Z | - |
| dc.date.available | 2019-01-17T10:25:10Z | - |
| dc.date.issued | 2018 | |
| dc.identifier.citation | Computational mechanics 2018: book of extended abstracts: 34th conference with international participation, p. 75-76. | en |
| dc.identifier.isbn | 978-80-261-0819-1 | |
| dc.identifier.uri | http://hdl.handle.net/11025/30815 | |
| dc.identifier.uri | https://www.zcu.cz/export/sites/zcu/pracoviste/vyd/online/FAV_Computational_Mechanics_2018.pdf | |
| dc.description.sponsorship | This work was supported by the Czech Science Foundation, projects no. GA17-12925S and GA17-14840S. The first author acknowledges the support by CEDAMNF project, reg. no. CZ. 02.1.01/0.0/0.0/15 003/0000358, co-funded by the ERDF as part of the Ministry of Education, Youth and Sports OP RDE programme. | en |
| dc.format | 2 s. | cs |
| dc.format.mimetype | application/pdf | |
| dc.language.iso | en | en |
| dc.publisher | Západočeská univerzita v Plzni | cs |
| dc.relation.ispartofseries | Computational Mechanics | en |
| dc.rights | Copyright © 2018 University of West Bohemia, Plzeň, Czech Republic | en |
| dc.subject | analýza citlivosti | cs |
| dc.subject | celková energie | cs |
| dc.subject | meziatomové vzdálenosti | cs |
| dc.title | Sensitivity analysis of total energy in electronic structure calculations | en |
| dc.type | konferenční příspěvek | cs |
| dc.type | conferenceObject | en |
| dc.rights.access | openAccess | en |
| dc.type.version | publishedVersion | en |
| dc.description.abstract-translated | In the contribution, several approaches to evaluating this term will be analyzed in terms of convergence properties and computing demands using test calculations on simple molecules of nitric oxide, carbon dioxide and tetrafluormethane, see Fig. 1, with interatomic distances scaled by a variable factor. | en |
| dc.subject.translated | sensitivity analysis | en |
| dc.subject.translated | total energy | en |
| dc.subject.translated | interatomic distances | en |
| dc.type.status | Peer-reviewed | en |
| Vyskytuje se v kolekcích: | Konferenční příspěvky / Conference Papers (KME) Computational mechanics 2018 Computational mechanics 2018 | |
Soubory připojené k záznamu:
| Soubor | Popis | Velikost | Formát | |
|---|---|---|---|---|
| Novak.pdf | Plný text | 750,71 kB | Adobe PDF | Zobrazit/otevřít |
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