QUICKSTEP
Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
dc.contributor.author
VandeVondele, Joost
dc.contributor.author
Krack, Matthias
dc.contributor.author
Mohamed, Fawzi
dc.contributor.author
Parrinello, Michele
dc.contributor.author
Chassaing, Thomas
dc.contributor.author
Hutter, Jürg
dc.date.accessioned
2017-06-09T23:29:40Z
dc.date.available
2017-06-09T23:29:40Z
dc.date.issued
2005-04-15
dc.identifier.issn
0010-4655
dc.identifier.issn
1879-2944
dc.identifier.other
10.1016/j.cpc.2004.12.014
dc.identifier.uri
http://hdl.handle.net/20.500.11850/48362
dc.language.iso
en
dc.publisher
Elsevier
dc.subject
Density functional theory (DFF)
dc.subject
Gaussian and plane waves method (GPW)
dc.subject
Linear scaling electronic structure methods
dc.subject
Ab initio molecular dynamics
dc.title
QUICKSTEP
dc.type
Journal Article
ethz.title.subtitle
Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
ethz.journal.title
Computer Physics Communications
ethz.journal.volume
167
ethz.journal.issue
2
ethz.journal.abbreviated
Comput. phys. commun.
ethz.pages.start
103
ethz.pages.end
128
ethz.notes
Received 8 October 2004, Accepted 21 December 2004, Available online 14 March 2005.
ethz.identifier.nebis
000045256
ethz.publication.status
published
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::03575 - Parrinello, Michele (ehemalig) / Parrinello, Michele (former)
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::03575 - Parrinello, Michele (ehemalig) / Parrinello, Michele (former)
ethz.date.deposited
2017-06-09T23:30:12Z
ethz.source
ECIT
ethz.identifier.importid
imp59364f27b78f677026
ethz.ecitpid
pub:79553
ethz.eth
yes
ethz.availability
Metadata only
ethz.rosetta.installDate
2017-07-18T17:43:07Z
ethz.rosetta.lastUpdated
2025-02-06T18:56:00Z
ethz.rosetta.exportRequired
true
ethz.rosetta.versionExported
true
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